Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 170.589(D) CA :: 54.944(D) CB :: 60.834(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.151(D) HB2 :: 4.000(D) HB3 :: 3.899(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 C 0.12 L 0.02 C Shift Assignments>> C :: 175.082(D) CA :: 50.835(D) CB :: 39.483(D) CG :: 24.660(D) CD1 :: 22.628(D) CD2 :: 21.031(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.683(D) HA :: 4.659(D) HB2 :: 1.560(D) HB3 :: 1.560(D) HG :: 1.675(D) HD11 :: 0.909(D) HD12 :: 0.909(D) HD13 :: 0.909(D) HD21 :: 0.910(D) HD22 :: 0.910(D) HD23 :: 0.910(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.072(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.94 G 0.04 C Shift Assignments>> C :: 176.942(D) CA :: 60.680(D) CB :: 29.642(D) CG :: 25.024(D) CD :: 48.178(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.410(D) HB2 :: 2.302(D) HB3 :: 1.915(D) HG2 :: 2.015(D) HG3 :: 2.015(D) HD2 :: 3.853(D) HD3 :: 3.618(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.451(D) Ave N Shift Values>> N :: 134.16(6.62) 1.A4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 178.361(D) CA :: 50.647(D) CB :: 16.560(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.517(D) HA :: 4.260(D) HB1 :: 1.408(D) HB2 :: 1.408(D) HB3 :: 1.408(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.832(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.687(D) CA :: 56.154(D) CB :: 61.228(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.234(D) HA :: 4.353(D) HB2 :: 3.924(D) HB3 :: 3.864(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.124(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 177.811(D) CA :: 50.231(D) CB :: 16.714(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.173(D) HA :: 4.317(D) HB1 :: 1.393(D) HB2 :: 1.393(D) HB3 :: 1.393(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.912(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 178.189(D) CA :: 50.579(D) CB :: 16.504(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.091(D) HA :: 4.218(D) HB1 :: 1.364(D) HB2 :: 1.364(D) HB3 :: 1.364(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.823(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.71 A 0.25 L 0.03 C Shift Assignments>> C :: 176.581(D) CA :: 54.357(D) CB :: 30.038(D) CG :: 22.325(D) CD :: 26.452(D) CE :: 39.578(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.149(D) HA :: 4.136(D) HB2 :: 1.767(D) HB3 :: 1.710(D) HG2 :: 1.395 HG3 :: 1.319 HD2 :: 1.609(D) HD3 :: 1.609(D) HE2 :: 2.937 HE3 :: 2.937 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.619(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 C 0.31 E 0.03 F 0.01 K 0.01 D 0.01 C Shift Assignments>> C :: 174.669(D) CA :: 50.639(D) CB :: 36.261(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.166(D) HA :: 4.693(D) HB2 :: 2.810(D) HB3 :: 2.773(D) HD21 :: 7.628(D) HD22 :: 6.945(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.218(D) ND2 :: 112.799(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C Shift Assignments>> C :: 177.054(D) CA :: 49.987(D) CB :: 17.301(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.996(D) HA :: 4.315(D) HB1 :: 1.368(D) HB2 :: 1.368(D) HB3 :: 1.368(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.873(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 A 0.41 L 0.02 C Shift Assignments>> C :: 177.006(D) CA :: 52.450(D) CB :: 30.287(D) CG :: 22.549(D) CD :: 26.186(D) CE :: 39.799(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.867(D) HA :: 4.274(D) HB2 :: 1.863(D) HB3 :: 1.726(D) HG2 :: 1.487(D) HG3 :: 1.315(D) HD2 :: 1.630(D) HD3 :: 1.491(D) HE2 :: 2.957(D) HE3 :: 2.934(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.135(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 A 0.26 L 0.07 C Shift Assignments>> C :: 180.216(D) CA :: 55.498(D) CB :: 38.877(D) CG :: 24.358(D) CD1 :: 22.851(D) CD2 :: 21.732(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.080 HA :: 3.774(D) HB2 :: 1.324(D) HB3 :: 0.910(D) HG :: 0.932 HD11 :: 0.419 HD12 :: 0.419 HD13 :: 0.419 HD21 :: 0.259 HD22 :: 0.259 HD23 :: 0.259 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.846(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 179.277(D) CA :: 52.776(D) CB :: 16.742(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.138(D) HA :: 3.900(D) HB1 :: 1.380(D) HB2 :: 1.380(D) HB3 :: 1.380(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.034(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> S 0.58 A 0.24 C 0.16 C Shift Assignments>> C :: 174.248(D) CA :: 57.228(D) CB :: 65.899(D) CG2 :: 19.179(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.679(D) HA :: 4.532(D) HB :: 4.658(D) HG21 :: 1.082(D) HG22 :: 1.082(D) HG23 :: 1.082(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 137.116(S) Ave N Shift Values>> N :: 115.42(4.75) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.87 C 0.06 P 0.05 C Shift Assignments>> C :: 176.918(D) CA :: 53.763(D) CB :: 61.513(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.446(D) HA :: 4.806(D) HB2 :: 4.564(D) HB3 :: 4.184(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.471(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 180.317(D) CA :: 52.550(D) CB :: 15.674(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.711(D) HA :: 4.286(D) HB1 :: 1.604(D) HB2 :: 1.604(D) HB3 :: 1.604(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 101.269(S) Ave N Shift Values>> N :: 123.23(3.54) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 180.110 CA :: 51.972 CB :: 17.025 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.672 HA :: 4.008 HB1 :: 0.955 HB2 :: 0.955 HB3 :: 0.955 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.976 Ave N Shift Values>> N :: 123.23(3.54) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 F 0.16 I 0.08 N 0.05 K 0.02 D 0.01 C Shift Assignments>> C :: 177.078 CA :: 57.049 CB :: 37.125 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.966 HA :: 4.546 HB2 :: 3.659 HB3 :: 3.197 HD1 :: 7.439 HD2 :: 7.439 HE1 :: 7.266 HE2 :: 7.266 HZ :: 6.985 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.588 Ave N Shift Values>> N :: 120.45(4.18) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.92 C 0.04 I 0.03 C Shift Assignments>> C :: 180.724(D) CA :: 52.633(D) CB :: 14.852(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.776 HA :: 3.846(D) HB1 :: 1.486(D) HB2 :: 1.486(D) HB3 :: 1.486(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.097 Ave N Shift Values>> N :: 123.23(3.54) 1.K20 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.9 A 0.05 L 0.04 C Shift Assignments>> C :: 178.921(D) CA :: 56.220(D) CB :: 29.792(D) CG :: 22.610(D) CD :: 26.445(D) CE :: 39.337 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.401(D) HA :: 4.066(D) HB2 :: 1.880(D) HB3 :: 1.843(D) HG2 :: 1.537(D) HG3 :: 1.450(D) HD2 :: 1.655(D) HD3 :: 1.655(D) HE2 :: 2.917(D) HE3 :: 2.917(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.689(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 Q 0.25 K 0.22 C Shift Assignments>> C :: 177.219(D) CA :: 56.283(D) CB :: 27.083(D) CG :: 32.368(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.791(D) HA :: 3.991(D) HB2 :: 2.313(D) HB3 :: 2.117(D) HG2 :: 2.507(D) HG3 :: 2.129(D) HE21 :: 7.399 HE22 :: 6.573 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.806(D) NE2 :: 109.565 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 G 0.01 C 0.01 C Shift Assignments>> C :: 178.072(D) CA :: 49.736(D) CB :: 16.355(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.818(D) HA :: 4.046(D) HB1 :: 1.008(D) HB2 :: 1.008(D) HB3 :: 1.008(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.242(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 Q 0.36 K 0.15 E 0.03 C Shift Assignments>> C :: 177.235(D) CA :: 55.934(D) CB :: 26.939(D) CG :: 33.792(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.459(D) HA :: 4.040(D) HB2 :: 2.176(D) HB3 :: 2.043(D) HG2 :: 2.374(D) HG3 :: 2.290(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.353(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 D 0.13 K 0.12 F 0.1 C 0.05 G 0.05 I 0.02 C Shift Assignments>> C :: 174.468(D) CA :: 42.989(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.487(D) HA2 :: 4.059(D) HA3 :: 3.937(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.096(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 T 0.38 A 0.11 S 0.04 C Shift Assignments>> C :: 175.287(D) CA :: 58.626(D) CB :: 68.404(D) CG2 :: 19.215 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.719(D) HA :: 4.629(D) HB :: 4.188(D) HG21 :: 1.124(D) HG22 :: 1.124(D) HG23 :: 1.124(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.895(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.44 T 0.3 S 0.21 A 0.03 C Shift Assignments>> C :: 174.133 CA :: 59.456 CB :: 67.545 CG2 :: 19.163 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.213 HA :: 4.414 HB :: 4.181 HG21 :: 0.893(D) HG22 :: 0.893(D) HG23 :: 0.893(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.163 Ave N Shift Values>> N :: 115.42(4.75) 1.C27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.65 C 0.25 E 0.03 F 0.02 D 0.02 C Shift Assignments>> C :: 175.104(D) CA :: 50.925(D) CB :: 36.597(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.483 HA :: 4.746(D) HB2 :: 3.042 HB3 :: 2.798(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.274 Ave N Shift Values>> N :: 120.17(4.64) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 C 0.21 E 0.04 F 0.02 D 0.02 C Shift Assignments>> C :: 175.601 CA :: 51.669(D) CB :: 36.797(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.632(D) HA :: 4.587(D) HB2 :: 2.829(D) HB3 :: 2.753(D) HD21 :: 7.791 HD22 :: 7.100 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.373(D) ND2 :: 114.194 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.86 V 0.08 I 0.05 C Shift Assignments>> CA :: 62.420(D) CB :: 29.437(D) CG1 :: 19.002(D) CG2 :: 18.413(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 3.844(D) HB :: 2.111(D) HG11 :: 1.013(D) HG12 :: 1.013(D) HG13 :: 1.013(D) HG21 :: 0.990(D) HG22 :: 0.990(D) HG23 :: 0.990(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.799 Ave N Shift Values>> N :: 121.14(4.54) 1.G30 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA2 :: 4.111(D) HA3 :: 4.111(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S31 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.689(D) HB2 :: 4.005(D) HB3 :: 4.005(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.I32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.82 I 0.16 C Shift Assignments>> C :: 174.848(D) CA :: 58.822(D) CB :: 35.534(D) CG1 :: 26.302(D) CG2 :: 16.312(D) CD1 :: 10.687(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.236(D) HA :: 4.734(D) HB :: 1.905(D) HG12 :: 1.625(D) HG13 :: 1.205(D) HG21 :: 0.999(D) HG22 :: 0.999(D) HG23 :: 0.999(D) HD11 :: 0.723(D) HD12 :: 0.723(D) HD13 :: 0.723(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.138(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.15 C 0.07 A 0.02 P 0.01 C Shift Assignments>> C :: 175.086(D) CA :: 48.193(D) CB :: 23.820(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.172(D) HA :: 5.020(D) HB1 :: 1.127(D) HB2 :: 1.127(D) HB3 :: 1.127(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.673(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.44 C 0.32 P 0.12 N 0.07 Q 0.01 C Shift Assignments>> C :: 175.639(D) CA :: 48.542(D) CB :: 35.081(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.933(D) HA :: 5.970(D) HB2 :: 3.785(D) HB3 :: 2.380(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.858(D) Ave N Shift Values>> N :: 120.17(4.64) 1.C35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 173.312(D) CA :: 52.285(D) CB :: 47.488(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.428(D) HA :: 6.022(D) HB2 :: 2.919(D) HB3 :: 2.607(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.605(D) Ave N Shift Values>> N :: 120.17(4.64) 1.N36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 N 0.11 C 0.04 D 0.01 C Shift Assignments>> C :: 175.100(D) CA :: 47.801(D) CB :: 38.728(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.357(D) HA :: 5.378(D) HB2 :: 2.724(D) HB3 :: 2.531(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.706(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.76 C 0.23 C Shift Assignments>> C :: 173.315(D) CA :: 54.740(D) CB :: 59.663(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.928(D) HA :: 4.381(D) HB2 :: 4.249(D) HB3 :: 3.912(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.566(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.76 G 0.15 P 0.07 C Shift Assignments>> C :: 178.596(D) CA :: 63.747(D) CB :: 29.158(D) CG :: 26.284(D) CD :: 48.020(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.096(D) HB2 :: 2.312(D) HB3 :: 1.940(D) HG2 :: 2.155(D) HG3 :: 1.739(D) HD2 :: 3.693(D) HD3 :: 3.693(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.838 Ave N Shift Values>> N :: 134.16(6.62) 1.A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 179.967(D) CA :: 52.644(D) CB :: 16.024(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.168(D) HA :: 4.074(D) HB1 :: 1.355(D) HB2 :: 1.355(D) HB3 :: 1.355(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.766(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 Q 0.38 K 0.15 E 0.04 C Shift Assignments>> C :: 178.534(D) CA :: 55.366(D) CB :: 27.083(D) CG :: 34.070(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.417(D) HA :: 4.210(D) HB2 :: 2.132(D) HB3 :: 1.948(D) HG2 :: 2.265 HG3 :: 2.200(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.698(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.6 C 0.33 S 0.06 C Shift Assignments>> C :: 175.395 CA :: 64.692(D) CB :: 66.608(D) CG2 :: 19.113(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.317(D) HA :: 3.934(D) HB :: 4.340(D) HG21 :: 1.069(D) HG22 :: 1.069(D) HG23 :: 1.069(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.642(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 C 0.29 E 0.14 K 0.03 F 0.03 Q 0.02 D 0.01 C Shift Assignments>> C :: 175.881 CA :: 52.966(D) CB :: 36.259(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.165(D) HA :: 4.380(D) HB2 :: 2.773(D) HB3 :: 2.728(D) HD21 :: 7.535 HD22 :: 6.858 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.108(D) ND2 :: 112.544 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 C 0.29 E 0.03 F 0.01 D 0.01 K 0.01 C Shift Assignments>> C :: 173.925(D) CA :: 50.717(D) CB :: 36.363(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.487(D) HA :: 4.679(D) HB2 :: 2.908(D) HB3 :: 2.817(D) HD21 :: 7.509 HD22 :: 6.787 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.601(D) ND2 :: 111.293 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.26 N 0.12 K 0.06 C 0.06 G 0.05 F 0.03 C Shift Assignments>> C :: 175.607(D) CA :: 51.044(D) CB :: 42.218(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.699(D) HA :: 4.962(D) HB2 :: 2.918(D) HB3 :: 2.406(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.583(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.727(D) CA :: 59.401(D) CB :: 60.275(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.003(D) HA :: 4.125(D) HB2 :: 3.928(D) HB3 :: 3.928(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.695(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 A 0.3 L 0.14 C Shift Assignments>> C :: 178.651(D) CA :: 55.641(D) CB :: 39.066(D) CG :: 24.980(D) CD1 :: 23.503(D) CD2 :: 21.197(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.040(D) HA :: 4.319(D) HB2 :: 1.966(D) HB3 :: 1.664(D) HG :: 1.446(D) HD11 :: 0.935(D) HD12 :: 0.935(D) HD13 :: 0.935(D) HD21 :: 0.964(D) HD22 :: 0.964(D) HD23 :: 0.964(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.738(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 A 0.26 L 0.1 C Shift Assignments>> C :: 179.128(D) CA :: 55.913(D) CB :: 39.835(D) CG :: 24.075(D) CD1 :: 23.954(D) CD2 :: 21.419(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.904(D) HA :: 3.860(D) HB2 :: 2.045(D) HB3 :: 1.408(D) HG :: 1.911(D) HD11 :: 0.865(D) HD12 :: 0.865(D) HD13 :: 0.865(D) HD21 :: 0.761(D) HD22 :: 0.761(D) HD23 :: 0.761(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.264(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.549(D) CA :: 59.672(D) CB :: 60.401(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.455(D) HA :: 3.895(D) HB2 :: 4.003(D) HB3 :: 4.003(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.723(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.63 L 0.25 C 0.04 F 0.03 D 0.02 C Shift Assignments>> C :: 176.449(D) CA :: 44.588(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.106(D) HA2 :: 3.932(D) HA3 :: 3.932(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.111(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 A 0.4 L 0.06 C Shift Assignments>> C :: 179.525(D) CA :: 55.577(D) CB :: 39.453(D) CG :: 24.220(D) CD1 :: 24.674(D) CD2 :: 20.881(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.531(D) HA :: 4.068(D) HB2 :: 1.987(D) HB3 :: 1.230(D) HG :: 1.994 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.626(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 A 0.34 L 0.09 C Shift Assignments>> C :: 181.240(D) CA :: 56.021(D) CB :: 40.005(D) CG :: 24.374(D) CD1 :: 23.626(D) CD2 :: 20.731(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.371(D) HA :: 4.147(D) HB2 :: 1.949(D) HB3 :: 1.432(D) HG :: 1.490 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.198(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.26 C 0.05 F 0.03 D 0.02 C Shift Assignments>> C :: 174.993(D) CA :: 44.546(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.383(D) HA2 :: 3.985(D) HA3 :: 3.879(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.426(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.96 G 0.02 C 0.01 C Shift Assignments>> C :: 177.563(D) CA :: 49.417(D) CB :: 17.121(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.621 HA :: 4.453(D) HB1 :: 1.479(D) HB2 :: 1.479(D) HB3 :: 1.479(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.197 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 D 0.11 F 0.09 G 0.09 K 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 174.896(D) CA :: 43.251(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.997(D) HA2 :: 4.160(D) HA3 :: 3.996(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.795(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 C 0.17 L 0.11 C Shift Assignments>> C :: 176.310(D) CA :: 53.220(D) CB :: 40.589(D) CG :: 24.786 CD1 :: 23.217 CD2 :: 20.996 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.918(D) HA :: 4.374(D) HB2 :: 1.638(D) HB3 :: 1.638(D) HG :: 1.715 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.766(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.89 C 0.08 L 0.01 C Shift Assignments>> C :: 174.945(D) CA :: 50.395(D) CB :: 41.016(D) CG :: 24.313 CD1 :: 25.077(D) CD2 :: 20.311(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.986 HA :: 4.698(D) HB2 :: 1.936(D) HB3 :: 1.312(D) HG :: 1.452 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.293 Ave N Shift Values>> N :: 121.86(3.9) 1.N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 D 0.27 C 0.08 L 0.07 F 0.03 HN Overlap>> 1.D74 1.D74 C Shift Assignments>> C :: 173.941(D) CA :: 50.300(D) CB :: 40.052(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.099(D) HA :: 4.878(D) HB2 :: 3.002(D) HB3 :: 2.383(D) HD21 :: 7.283 HD22 :: 6.892 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.025(D) ND2 :: 111.635 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.22 K 0.2 F 0.16 I 0.05 C 0.04 N 0.03 C Shift Assignments>> C :: 172.755(D) CA :: 41.451(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.198(D) HA2 :: 4.574(D) HA3 :: 3.629(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.975(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 C 0.1 L 0.05 G 0.03 C Shift Assignments>> C :: 177.199(D) CA :: 50.934(D) CB :: 41.945(D) CG :: 24.174(D) CD1 :: 23.827(D) CD2 :: 21.176(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.972(D) HA :: 4.389(D) HB2 :: 1.720(D) HB3 :: 1.324(D) HG :: 1.452 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.054(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.967(D) CA :: 57.657(D) CB :: 60.520(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.043(D) HA :: 4.082(D) HB2 :: 3.890(D) HB3 :: 3.801(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.201(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 G 0.11 D 0.11 F 0.09 K 0.06 C 0.06 I 0.01 HN Overlap>> 1.G64 1.G64 C Shift Assignments>> C :: 173.814(D) CA :: 43.334(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.019(D) HA2 :: 4.205(D) HA3 :: 3.797(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.271(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 C 0.24 G 0.11 D 0.02 F 0.01 C Shift Assignments>> C :: 174.524(D) CA :: 48.978(D) CB :: 37.225(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.891(D) HA :: 5.062(D) HB2 :: 2.683(D) HB3 :: 2.371(D) HD21 :: 6.989(D) HD22 :: 6.892(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.380(D) ND2 :: 110.355(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.43 C 0.32 S 0.24 C Shift Assignments>> C :: 174.646(D) CA :: 62.721(D) CB :: 66.492(D) CG2 :: 19.398(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.695(D) HA :: 4.068(D) HB :: 4.046 HG21 :: 1.248(D) HG22 :: 1.248(D) HG23 :: 1.248(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.280(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.39 K 0.25 D 0.15 F 0.1 C 0.04 I 0.02 N 0.01 HN Overlap>> 1.G61 1.G61 C Shift Assignments>> C :: 174.066(D) CA :: 42.281(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.952(D) HA2 :: 4.336(D) HA3 :: 3.659(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.256(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.549(D) CA :: 56.575(D) CB :: 62.881(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.663(D) HA :: 4.151(D) HB2 :: 3.886(D) HB3 :: 3.756(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.864(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.68 G 0.25 C 0.04 L 0.01 C Shift Assignments>> C :: 176.000(D) CA :: 48.611(D) CB :: 21.020(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.611(D) HA :: 4.926(D) HB1 :: 1.317(D) HB2 :: 1.317(D) HB3 :: 1.317(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.216(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.04 C 0.02 C Shift Assignments>> C :: 173.347(D) CA :: 51.930(D) CB :: 46.483(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.693(D) HA :: 5.558(D) HB2 :: 2.695(D) HB3 :: 2.499(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.089(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.7 A 0.21 L 0.04 C 0.02 C Shift Assignments>> C :: 175.651(D) CA :: 48.023(D) CB :: 21.474(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.793(D) HA :: 4.851(D) HB1 :: 1.186(D) HB2 :: 1.186(D) HB3 :: 1.186(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.214(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.92 A 0.03 K 0.02 C Shift Assignments>> C :: 177.446(D) CA :: 54.299 CB :: 30.766 CG :: 24.118 CD :: 26.986 CE :: 39.599 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.774(D) HA :: 4.468 HB2 :: 2.140 HB3 :: 1.674 HG2 :: 1.596 HG3 :: 1.392 HD2 :: 1.930 HD3 :: 1.786 HE2 :: 3.015 HE3 :: 3.015 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.646(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 C 0.02 I 0.02 C Shift Assignments>> CA :: 53.526(D) CB :: 16.200(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.366(D) HA :: 3.799(D) HB1 :: 1.215(D) HB2 :: 1.215(D) HB3 :: 1.215(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.172(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.883(D) CA :: 58.404(D) CB :: 59.350(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.656(D) HA :: 4.166(D) HB2 :: 3.903(D) HB3 :: 3.903(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.573(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 A 0.37 L 0.24 C Shift Assignments>> C :: 178.740(D) CA :: 54.809(D) CB :: 40.166(D) CG :: 24.753(D) CD1 :: 23.203(D) CD2 :: 21.613(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.006(D) HA :: 4.293(D) HB2 :: 1.859(D) HB3 :: 1.640(D) HG :: 1.594(D) HD11 :: 0.937(D) HD12 :: 0.937(D) HD13 :: 0.937(D) HD21 :: 0.987(D) HD22 :: 0.987(D) HD23 :: 0.987(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.089(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.78 I 0.21 C Shift Assignments>> C :: 179.135(D) CA :: 64.287(D) CB :: 34.850(D) CG1 :: 27.814(D) CG2 :: 14.128(D) CD1 :: 12.545(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.070(D) HA :: 3.248(D) HB :: 1.915(D) HG12 :: 1.728(D) HG13 :: 0.806(D) HG21 :: 0.708(D) HG22 :: 0.708(D) HG23 :: 0.708(D) HD11 :: 0.686(D) HD12 :: 0.686(D) HD13 :: 0.686(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.677(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 C 0.15 D 0.14 F 0.13 L 0.04 E 0.03 I 0.01 HN Overlap>> 1.N57 1.N57 C Shift Assignments>> C :: 178.408(D) CA :: 54.314(D) CB :: 38.328(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.102(D) HA :: 4.438(D) HB2 :: 2.714(D) HB3 :: 2.544(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.007(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.69 K 0.23 Q 0.06 C Shift Assignments>> C :: 177.740(D) CA :: 56.411(D) CB :: 27.093(D) CG :: 31.198(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.936(D) HA :: 4.082(D) HB2 :: 2.270(D) HB3 :: 2.074(D) HG2 :: 2.486(D) HG3 :: 2.330(D) HE21 :: 7.387(D) HE22 :: 6.724(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.900(D) NE2 :: 110.243(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 C 0.09 L 0.01 C Shift Assignments>> C :: 176.875(D) CA :: 52.010(D) CB :: 40.003(D) CG :: 24.610(D) CD1 :: 23.280(D) CD2 :: 20.213(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.347(D) HA :: 4.377(D) HB2 :: 1.637(D) HB3 :: 1.530(D) HG :: 1.711(D) HD11 :: 0.805(D) HD12 :: 0.805(D) HD13 :: 0.805(D) HD21 :: 0.785(D) HD22 :: 0.785(D) HD23 :: 0.785(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.404(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.24 C 0.04 F 0.02 D 0.02 C Shift Assignments>> C :: 176.543(D) CA :: 44.626(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.790(D) HA2 :: 3.945(D) HA3 :: 3.945(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.693(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L78 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 C 0.14 C Shift Assignments>> C :: 176.543(D) CA :: 50.300(D) CB :: 37.129(D) CG :: 23.583(D) CD1 :: 23.163(D) CD2 :: 20.573(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.585(D) HA :: 4.572(D) HB2 :: 1.842(D) HB3 :: 1.281(D) HG :: 1.576(D) HD11 :: 0.623(D) HD12 :: 0.623(D) HD13 :: 0.623(D) HD21 :: 0.646(D) HD22 :: 0.646(D) HD23 :: 0.646(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.747(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 C 0.32 L 0.02 C Shift Assignments>> C :: 179.049(D) CA :: 54.568(D) CB :: 39.004(D) CG :: 24.856(D) CD1 :: 22.611(D) CD2 :: 20.301(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.034(D) HA :: 3.865(D) HB2 :: 1.743(D) HB3 :: 1.625(D) HG :: 1.623(D) HD11 :: 0.955(D) HD12 :: 0.955(D) HD13 :: 0.955(D) HD21 :: 0.824(D) HD22 :: 0.824(D) HD23 :: 0.824(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.111(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 179.355(D) CA :: 51.752(D) CB :: 16.479(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.877(D) HA :: 4.226(D) HB1 :: 1.396(D) HB2 :: 1.396(D) HB3 :: 1.396(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.085(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.68 L 0.17 C 0.13 C Shift Assignments>> C :: 177.622(D) CA :: 52.873(D) CB :: 41.845(D) CG :: 25.083(D) CD1 :: 25.098(D) CD2 :: 20.753(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.489(D) HA :: 4.421(D) HB2 :: 1.852(D) HB3 :: 1.525(D) HG :: 1.417(D) HD11 :: 0.885(D) HD12 :: 0.885(D) HD13 :: 0.885(D) HD21 :: 0.699(D) HD22 :: 0.699(D) HD23 :: 0.699(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.168(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.89 V 0.08 A 0.02 C Shift Assignments>> C :: 173.690(D) CA :: 58.191(D) CB :: 33.112(D) CG1 :: 20.239(D) CG2 :: 17.813(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.808(D) HA :: 5.063(D) HB :: 2.075(D) HG11 :: 0.729(D) HG12 :: 0.729(D) HG13 :: 0.729(D) HG21 :: 0.777(D) HG22 :: 0.777(D) HG23 :: 0.777(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.754(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.52 D 0.18 L 0.12 C 0.07 N 0.05 K 0.01 F 0.01 C Shift Assignments>> C :: 175.166(D) CA :: 49.145(D) CB :: 42.593(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.711(D) HA :: 5.029(D) HB2 :: 2.437(D) HB3 :: 2.126(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.419(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 Q 0.19 C 0.17 H 0.14 K 0.11 E 0.06 I 0.01 C Shift Assignments>> C :: 173.878(D) CA :: 54.102(D) CB :: 27.687(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.850(D) HA :: 4.599(D) HB2 :: 3.126(D) HB3 :: 3.202(D) HD2 :: 7.473(D) HE1 :: 8.323(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.499(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 A 0.37 T 0.2 C Shift Assignments>> C :: 176.014(D) CA :: 57.682(D) CB :: 70.222(D) CG2 :: 19.012(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.227(D) HA :: 4.860(D) HB :: 4.452(D) HG21 :: 1.158(D) HG22 :: 1.158(D) HG23 :: 1.158(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.305(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 Q 0.31 K 0.19 E 0.03 I 0.01 C Shift Assignments>> C :: 177.196(D) CA :: 56.577(D) CB :: 26.720(D) CG :: 33.949(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.235(D) HA :: 4.111(D) HB2 :: 2.148(D) HB3 :: 2.080(D) HG2 :: 2.387(D) HG3 :: 2.349(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.198(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 C 0.31 K 0.22 E 0.08 C Shift Assignments>> C :: 174.786(D) CA :: 53.375(D) CB :: 28.035(D) CG :: 34.535(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.891(D) HA :: 4.539(D) HB2 :: 2.353(D) HB3 :: 1.688(D) HG2 :: 2.212(D) HG3 :: 2.212(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.046(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 L 0.26 D 0.19 F 0.13 C 0.04 I 0.04 N 0.02 C Shift Assignments>> C :: 172.846(D) CA :: 41.764(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.388(D) HA2 :: 5.034(D) HA3 :: 3.958(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.655(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.97 P 0.02 C Shift Assignments>> C :: 175.967(D) CA :: 60.143(D) CB :: 29.640(D) CG :: 25.085(D) CD :: 50.591(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.215(D) HB2 :: 1.822(D) HB3 :: 1.583(D) HG2 :: 1.762(D) HG3 :: 1.762(D) HD2 :: 3.648(D) HD3 :: 3.569(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 144.273(D) Ave N Shift Values>> N :: 134.16(6.62) 1.V90 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.93 A 0.06 C Shift Assignments>> C :: 176.249(D) CA :: 56.989(D) CB :: 33.915(D) CG1 :: 21.552(D) CG2 :: 15.336(S) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.228(D) HA :: 4.441(D) HB :: 2.216(D) HG11 :: 0.689(D) HG12 :: 0.689(D) HG13 :: 0.689(D) HG21 :: 0.569(D) HG22 :: 0.569(D) HG23 :: 0.569(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.498(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.61 C 0.16 H 0.11 Q 0.05 K 0.02 E 0.02 C Shift Assignments>> C :: 176.460(D) CA :: 51.048(D) CB :: 30.289(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.690(D) HA :: 4.947(D) HB2 :: 3.166(D) HB3 :: 2.471(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.846(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K92 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.94 A 0.05 C Shift Assignments>> C :: 175.550(D) CA :: 56.761(D) CB :: 31.000(D) CG :: 21.973(D) CD :: 26.852(D) CE :: 39.390(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.767(D) HA :: 3.772(D) HB2 :: 1.497(D) HB3 :: 1.303(D) HG2 :: 1.290(D) HG3 :: 1.263(D) HD2 :: 1.624(D) HD3 :: 1.562(D) HE2 :: 2.950(D) HE3 :: 2.950(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.780(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.72 D 0.1 C 0.1 F 0.03 L 0.02 C Shift Assignments>> C :: 173.573(D) CA :: 51.336(D) CB :: 38.289(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.191(D) HA :: 5.077(D) HB2 :: 3.187(D) HB3 :: 2.982(D) HD21 :: 7.604(D) HD22 :: 7.159(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.657(D) ND2 :: 114.513(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.76 I 0.23 C Shift Assignments>> C :: 174.384(D) CA :: 58.742(D) CB :: 39.667(D) CG1 :: 25.610(D) CG2 :: 15.126(D) CD1 :: 11.136(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.588(D) HA :: 4.178(D) HB :: 1.529(D) HG12 :: 1.386(D) HG13 :: 1.013(D) HG21 :: 0.796(D) HG22 :: 0.796(D) HG23 :: 0.796(D) HD11 :: 0.626(D) HD12 :: 0.626(D) HD13 :: 0.626(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.711(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.9 V 0.07 A 0.01 C Shift Assignments>> C :: 174.547(D) CA :: 58.824(D) CB :: 29.892(D) CG1 :: 19.441(D) CG2 :: 19.085(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.405(D) HA :: 4.848(D) HB :: 1.907(D) HG11 :: 0.906(D) HG12 :: 0.906(D) HG13 :: 0.906(D) HG21 :: 0.935(D) HG22 :: 0.935(D) HG23 :: 0.935(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.897(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.15 C 0.04 A 0.02 C Shift Assignments>> C :: 174.019(D) CA :: 48.016(D) CB :: 23.560(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.280(D) HA :: 5.094(D) HB1 :: 1.102(D) HB2 :: 1.102(D) HB3 :: 1.102(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.960(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 D 0.21 C 0.07 L 0.05 F 0.04 C Shift Assignments>> C :: 175.164(D) CA :: 51.552(D) CB :: 39.288(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.050(D) HA :: 5.190(D) HB2 :: 3.024(D) HB3 :: 2.680(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.840(D) Ave N Shift Values>> N :: 120.17(4.64) 1.C98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 D 0.35 L 0.11 C 0.08 F 0.03 K 0.01 C Shift Assignments>> CA :: 50.140(D) CB :: 40.819(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.135(D) HA :: 5.176(D) HB2 :: 3.143(D) HB3 :: 2.785(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.652(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.97 G 0.02 C Shift Assignments>> C :: 176.460(D) CA :: 60.219(D) CB :: 29.869(D) CG :: 24.784(D) CD :: 48.579(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.499(D) HB2 :: 2.315(D) HB3 :: 1.961(D) HG2 :: 1.933(D) HG3 :: 1.933(D) HD2 :: 3.859(D) HD3 :: 3.701(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.025(D) Ave N Shift Values>> N :: 134.16(6.62) 1.E100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 C 0.38 K 0.18 E 0.03 C Shift Assignments>> C :: 177.853(D) CA :: 55.068(D) CB :: 27.193(D) CG :: 33.802(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.565(D) HA :: 4.162(D) HB2 :: 1.975(D) HB3 :: 1.975(D) HG2 :: 2.299(D) HG3 :: 2.299(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.611(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 D 0.13 K 0.11 F 0.1 G 0.06 C 0.05 I 0.02 C Shift Assignments>> C :: 174.246(D) CA :: 43.048(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.782(D) HA2 :: 4.176(D) HA3 :: 3.843(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.184(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 A 0.27 S 0.15 T 0.09 C Shift Assignments>> C :: 174.365(D) CA :: 58.113(D) CB :: 67.817(D) CG2 :: 18.707(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.692(D) HA :: 4.675(D) HB :: 4.313(D) HG21 :: 1.157(D) HG22 :: 1.157(D) HG23 :: 1.157(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.702(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.49 C 0.33 T 0.16 A 0.01 C Shift Assignments>> C :: 173.877(D) CA :: 60.022(D) CB :: 66.732(D) CG2 :: 19.242(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.108(D) HA :: 4.341(D) HB :: 4.199(D) HG21 :: 1.188(D) HG22 :: 1.188(D) HG23 :: 1.188(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.111(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.75 C 0.14 D 0.06 F 0.02 L 0.01 C Shift Assignments>> C :: 174.888(D) CA :: 50.047(D) CB :: 37.948(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.942(D) HA :: 4.884(D) HB2 :: 2.599(D) HB3 :: 2.599(D) HD21 :: 7.420(D) HD22 :: 6.883(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.368(D) ND2 :: 112.319(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.13 C 0.06 C Shift Assignments>> C :: 172.283(D) CA :: 54.258(D) CB :: 46.501(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.622(D) HA :: 5.069(D) HB2 :: 3.357(D) HB3 :: 2.512(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.096(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.94 A 0.03 V 0.02 C Shift Assignments>> C :: 175.114(D) CA :: 58.243(D) CB :: 32.522(D) CG1 :: 18.717(D) CG2 :: 17.783(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.713(D) HA :: 4.548(D) HB :: 2.016(D) HG11 :: 0.958(D) HG12 :: 0.958(D) HG13 :: 0.958(D) HG21 :: 0.901(D) HG22 :: 0.901(D) HG23 :: 0.901(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.666(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 177.829(D) CA :: 50.461(D) CB :: 16.765(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.887(D) HA :: 4.267(D) HB1 :: 1.415(D) HB2 :: 1.415(D) HB3 :: 1.415(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.905(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.93 I 0.03 V 0.02 C Shift Assignments>> C :: 175.721(D) CA :: 59.756(D) CB :: 30.083(D) CG1 :: 19.272(D) CG2 :: 17.642(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.490(D) HA :: 4.158(D) HB :: 2.095(D) HG11 :: 0.905(D) HG12 :: 0.905(D) HG13 :: 0.905(D) HG21 :: 0.852(D) HG22 :: 0.852(D) HG23 :: 0.852(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.702(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 D 0.16 C 0.08 F 0.03 L 0.03 C Shift Assignments>> C :: 175.686(D) CA :: 51.421(D) CB :: 38.934(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.400(D) HA :: 4.669(D) HB2 :: 2.684(D) HB3 :: 2.628(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.907(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 C 0.29 E 0.03 F 0.01 D 0.01 K 0.01 C Shift Assignments>> C :: 175.265(D) CA :: 50.653(D) CB :: 36.375(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.447(D) HA :: 4.695(D) HB2 :: 2.860(D) HB3 :: 2.774(D) HD21 :: 7.601(D) HD22 :: 6.867(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.059(D) ND2 :: 112.477(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> C :: 178.468(D) CA :: 50.714(D) CB :: 16.564(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.360(D) HA :: 4.297(D) HB1 :: 1.417(D) HB2 :: 1.417(D) HB3 :: 1.417(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.606(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 D 0.13 K 0.11 F 0.1 G 0.05 C 0.05 I 0.02 HN Overlap>> 1.G114 1.G114 C Shift Assignments>> C :: 174.321(D) CA :: 43.021(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.391(D) HA2 :: 3.946(D) HA3 :: 3.946(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.057(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 178.404(D) CA :: 50.384(D) CB :: 16.859(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.126(D) HA :: 4.329(D) HB1 :: 1.416(D) HB2 :: 1.416(D) HB3 :: 1.416(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.908(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 K 0.13 D 0.13 F 0.1 C 0.05 G 0.04 I 0.02 HN Overlap>> 1.G112 1.G112 C Shift Assignments>> C :: 174.440(D) CA :: 42.913(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.421(D) HA2 :: 3.996(D) HA3 :: 3.996(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.093(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 T 0.29 S 0.22 A 0.03 C Shift Assignments>> C :: 174.402(D) CA :: 59.526(D) CB :: 67.518(D) CG2 :: 19.103(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.026(D) HA :: 4.322(D) HB :: 4.196(D) HG21 :: 1.176(D) HG22 :: 1.176(D) HG23 :: 1.176(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.234(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 A 0.37 HN Overlap>> 1.A111 1.A111 C Shift Assignments>> C :: 175.912(D) CA :: 53.583(D) CB :: 30.789(D) CG :: 22.222(D) CD :: 26.587(D) CE :: 39.560(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.362(D) HA :: 4.350(D) HB2 :: 1.833(D) HB3 :: 1.749(D) HG2 :: 1.415(D) HG3 :: 1.415(D) HD2 :: 1.664(D) HD3 :: 1.664(D) HE2 :: 2.974(D) HE3 :: 2.974(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.603(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 176.703(D) CA :: 50.036(D) CB :: 16.812(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.404(D) HA :: 4.346(D) HB1 :: 1.383(D) HB2 :: 1.383(D) HB3 :: 1.383(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.153(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.35 K 0.29 C 0.25 E 0.08 C Shift Assignments>> C :: 180.826(D) CA :: 55.314(D) CB :: 28.668(D) CG :: 34.071(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.947(D) HA :: 4.113(D) HB2 :: 2.040(D) HB3 :: 1.868(D) HG2 :: 2.185(D) HG3 :: 2.185(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.310(D) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 110 #Suspicious: 2 #Anomalous: 0 #Mistyped: 4 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 4 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 24 #Duplicate: 414 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 90 #Duplicate: 646 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 14 #Duplicate: 110 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.S1 C = 170.589(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.9098e-02 1.S1 CA = 54.944(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.8129e-02 1.S1 CB = 60.834(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.5064e-02 1.S1 HA = 4.151(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1079e-01 1.S1 HB2 = 4.000(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.3123e-01 1.S1 HB3 = 3.899(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.5599e-01 1.L2 C = 175.082(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3523e-01 1.L2 CA = 50.835(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4673e-02 1.L2 CB = 39.483(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3265e-01 1.L2 CG = 24.660(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.3946e-02 1.L2 CD1 = 22.628(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.8827e-01 1.L2 CD2 = 21.031(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.5752e-02 1.L2 H = 8.683(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8585e-01 1.L2 HA = 4.659(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.7074e-01 1.L2 HB2 = 1.560(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.8309e-01 1.L2 HB3 = 1.560(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.1153e-01 1.L2 HG = 1.675(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.1707e-01 1.L2 HD11 = 0.909(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7013e-01 1.L2 HD12 = 0.909(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7013e-01 1.L2 HD13 = 0.909(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7013e-01 1.L2 HD21 = 0.910(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3480e-01 1.L2 HD22 = 0.910(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3480e-01 1.L2 HD23 = 0.910(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3480e-01 1.L2 N = 124.072(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7059e-01 1.P3 C = 176.942(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.9882e-01 1.P3 CA = 60.680(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.1260e-02 1.P3 CB = 29.642(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.1319e-02 1.P3 CG = 25.024(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.8975e-02 1.P3 CD = 48.178(D), Expected = 50.32, Std = 0.9900, ChiSquare = 3.0492e-02 1.P3 HA = 4.410(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.7583e-01 1.P3 HB2 = 2.302(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.2589e-01 1.P3 HB3 = 1.915(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.1335e-01 1.P3 HG2 = 2.015(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.8394e-01 1.P3 HG3 = 2.015(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.2748e-01 1.P3 HD2 = 3.853(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.6191e-01 1.P3 HD3 = 3.618(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.8363e-01 1.P3 N = 137.451(D), Expected = 134.16, Std = 6.6200, ChiSquare = 6.1910e-01 1.A4 C = 178.361(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.7063e-01 1.A4 CA = 50.647(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0800e-01 1.A4 CB = 16.560(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8064e-01 1.A4 H = 8.517(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9727e-01 1.A4 HA = 4.260(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.0000e+00 1.A4 HB1 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A4 HB2 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A4 HB3 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A4 N = 124.832(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5088e-01 1.S5 C = 174.687(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.6893e-01 1.S5 CA = 56.154(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.1512e-01 1.S5 CB = 61.228(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.2239e-02 1.S5 H = 8.234(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3786e-01 1.S5 HA = 4.353(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.5086e-01 1.S5 HB2 = 3.924(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.6029e-01 1.S5 HB3 = 3.864(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.5865e-01 1.S5 N = 114.124(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.4021e-01 1.A6 C = 177.811(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7341e-01 1.A6 CA = 50.231(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.4178e-01 1.A6 CB = 16.714(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.0961e-01 1.A6 H = 8.173(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6411e-01 1.A6 HA = 4.317(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9693e-01 1.A6 HB1 = 1.393(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6864e-01 1.A6 HB2 = 1.393(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6864e-01 1.A6 HB3 = 1.393(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6864e-01 1.A6 N = 125.912(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4867e-01 1.A7 C = 178.189(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.3304e-01 1.A7 CA = 50.579(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9586e-01 1.A7 CB = 16.504(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7087e-01 1.A7 H = 8.091(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5584e-01 1.A7 HA = 4.218(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.2395e-01 1.A7 HB1 = 1.364(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.5706e-01 1.A7 HB2 = 1.364(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.5706e-01 1.A7 HB3 = 1.364(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.5706e-01 1.A7 N = 122.823(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0847e-01 1.K8 C = 176.581(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7647e-01 1.K8 CA = 54.357(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3854e-01 1.K8 CB = 30.038(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2209e-01 1.K8 CG = 22.325(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.3213e-02 1.K8 CD = 26.452(D), Expected = 28.96, Std = 1.0800, ChiSquare = 2.0221e-02 1.K8 CE = 39.578(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.8097e-03 1.K8 H = 8.149(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4552e-01 1.K8 HA = 4.136(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6071e-01 1.K8 HB2 = 1.767(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.5853e-01 1.K8 HB3 = 1.710(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.1153e-01 1.K8 HD2 = 1.609(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.9637e-01 1.K8 HD3 = 1.609(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.6737e-01 1.K8 N = 119.619(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0426e-01 1.N9 C = 174.669(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.3706e-01 1.N9 CA = 50.639(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.2281e-01 1.N9 CB = 36.261(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.5064e-01 1.N9 H = 8.166(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8240e-01 1.N9 HA = 4.693(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.4906e-01 1.N9 HB2 = 2.810(D), Expected = 2.81, Std = 0.3100, ChiSquare = 1.0000e+00 1.N9 HB3 = 2.773(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.4444e-01 1.N9 HD21 = 7.628(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.6248e-01 1.N9 HD22 = 6.945(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.9066e-01 1.N9 N = 118.218(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.5976e-01 1.N9 ND2 = 112.799(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.8247e-01 1.A10 C = 177.054(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.4740e-01 1.A10 CA = 49.987(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.1129e-01 1.A10 CB = 17.301(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5037e-01 1.A10 H = 7.996(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3386e-01 1.A10 HA = 4.315(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.0052e-01 1.A10 HB1 = 1.368(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.4481e-01 1.A10 HB2 = 1.368(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.4481e-01 1.A10 HB3 = 1.368(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.4481e-01 1.A10 N = 123.873(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5587e-01 1.K11 C = 177.006(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.5480e-01 1.K11 CA = 52.450(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.0810e-02 1.K11 CB = 30.287(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.5967e-01 1.K11 CG = 22.549(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.8295e-02 1.K11 CD = 26.186(D), Expected = 28.96, Std = 1.0800, ChiSquare = 1.0213e-02 1.K11 CE = 39.799(D), Expected = 41.89, Std = 0.8200, ChiSquare = 1.0772e-02 1.K11 H = 7.867(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9035e-01 1.K11 HA = 4.274(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9275e-01 1.K11 HB2 = 1.863(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.3989e-01 1.K11 HB3 = 1.726(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.5865e-01 1.K11 HG2 = 1.487(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.5271e-01 1.K11 HG3 = 1.315(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.0052e-01 1.K11 HD2 = 1.630(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.2757e-01 1.K11 HD3 = 1.491(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.2028e-01 1.K11 HE2 = 2.957(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.4560e-01 1.K11 HE3 = 2.934(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0448e-01 1.K11 N = 120.135(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0823e-01 1.L12 C = 180.216(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0325e-01 1.L12 CA = 55.498(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5432e-01 1.L12 CB = 38.877(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7841e-02 1.L12 CG = 24.358(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.7678e-02 1.L12 CD1 = 22.851(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3981e-01 1.L12 CD2 = 21.732(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.7272e-01 1.L12 HA = 3.774(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4536e-01 1.L12 HB2 = 1.324(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.0025e-01 1.L12 HB3 = 0.910(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.0181e-02 1.L12 N = 128.846(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3248e-02 1.A13 C = 179.277(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.7054e-01 1.A13 CA = 52.776(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5414e-01 1.A13 CB = 16.742(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1522e-01 1.A13 H = 9.138(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1797e-01 1.A13 HA = 3.900(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.1325e-01 1.A13 HB1 = 1.380(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A13 HB2 = 1.380(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A13 HB3 = 1.380(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A13 N = 118.034(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.4216e-01 1.T14 C = 174.248(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6823e-01 1.T14 CA = 57.228(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.3928e-02 1.T14 CB = 65.899(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.8758e-02 1.T14 CG2 = 19.179(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.2676e-02 1.T14 H = 6.679(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.1811e-02 1.T14 HA = 4.532(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.8076e-01 1.T14 HB = 4.658(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.3920e-01 1.T14 HG21 = 1.082(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 1.T14 HG22 = 1.082(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 1.T14 HG23 = 1.082(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 1.T14 N = 137.116(S), Expected = 115.42, Std = 4.7500, ChiSquare = 4.9339e-06 1.S15 C = 176.918(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.8153e-01 1.S15 CA = 53.763(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.6635e-02 1.S15 CB = 61.513(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.2228e-01 1.S15 H = 7.446(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5749e-01 1.S15 HA = 4.806(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1507e-01 1.S15 HB2 = 4.564(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.2191e-03 1.S15 HB3 = 4.184(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.1607e-01 1.S15 N = 117.471(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3510e-01 1.A16 C = 180.317(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.2633e-01 1.A16 CA = 52.550(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6572e-01 1.A16 CB = 15.674(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8311e-02 1.A16 H = 9.711(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1791e-02 1.A16 HA = 4.286(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.5288e-01 1.A16 HB1 = 1.604(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.2861e-01 1.A16 HB2 = 1.604(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.2861e-01 1.A16 HB3 = 1.604(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.2861e-01 1.A16 N = 101.269(S), Expected = 123.23, Std = 3.5400, ChiSquare = 5.5161e-10 1.A19 C = 180.724(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6123e-01 1.A19 CA = 52.633(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.9790e-01 1.A19 CB = 14.852(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3079e-02 1.A19 HA = 3.846(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.4675e-01 1.A19 HB1 = 1.486(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.0092e-01 1.A19 HB2 = 1.486(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.0092e-01 1.A19 HB3 = 1.486(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.0092e-01 1.K20 Typing: Mistyped 1.K20 C = 178.921(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.5408e-01 1.K20 CA = 56.220(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.4003e-01 1.K20 CB = 29.792(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2130e-02 1.K20 CG = 22.610(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.3623e-02 1.K20 CD = 26.445(D), Expected = 28.96, Std = 1.0800, ChiSquare = 1.9875e-02 1.K20 H = 7.401(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8851e-01 1.K20 HA = 4.066(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4291e-01 1.K20 HB2 = 1.880(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.8916e-01 1.K20 HB3 = 1.843(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.0285e-01 1.K20 HG2 = 1.537(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.2067e-01 1.K20 HG3 = 1.450(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.2098e-01 1.K20 HD2 = 1.655(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.3793e-01 1.K20 HD3 = 1.655(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.0259e-01 1.K20 HE2 = 2.917(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8740e-01 1.K20 HE3 = 2.917(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.7208e-01 1.K20 N = 116.689(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.4737e-01 1.Q21 C = 177.219(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4111e-01 1.Q21 CA = 56.283(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9331e-01 1.Q21 CB = 27.083(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.4699e-01 1.Q21 CG = 32.368(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.0982e-01 1.Q21 H = 7.791(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.6715e-01 1.Q21 HA = 3.991(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.2602e-01 1.Q21 HB2 = 2.313(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.9280e-01 1.Q21 HB3 = 2.117(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.2902e-01 1.Q21 HG2 = 2.507(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.8857e-01 1.Q21 HG3 = 2.129(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.7878e-01 1.Q21 N = 120.806(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9915e-01 1.A22 C = 178.072(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.7614e-01 1.A22 CA = 49.736(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5579e-02 1.A22 CB = 16.355(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.4683e-01 1.A22 H = 7.818(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2434e-01 1.A22 HA = 4.046(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.2671e-01 1.A22 HB1 = 1.008(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.8838e-01 1.A22 HB2 = 1.008(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.8838e-01 1.A22 HB3 = 1.008(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.8838e-01 1.A22 N = 118.242(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5882e-01 1.E23 C = 177.235(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5152e-01 1.E23 CA = 55.934(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0723e-01 1.E23 CB = 26.939(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4186e-02 1.E23 CG = 33.792(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1427e-02 1.E23 H = 7.459(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3987e-01 1.E23 HA = 4.040(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.0851e-01 1.E23 HB2 = 2.176(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.5757e-01 1.E23 HB3 = 2.043(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.1775e-01 1.E23 HG2 = 2.374(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.2043e-01 1.E23 HG3 = 2.290(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.5573e-01 1.E23 N = 120.353(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2742e-01 1.G24 C = 174.468(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.5042e-01 1.G24 CA = 42.989(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8079e-02 1.G24 H = 8.487(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0914e-01 1.G24 HA2 = 4.059(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0991e-01 1.G24 HA3 = 3.937(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.2034e-01 1.G24 N = 110.096(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1235e-01 1.T25 C = 175.287(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.7125e-01 1.T25 CA = 58.626(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6524e-01 1.T25 CB = 68.404(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.1593e-01 1.T25 H = 7.719(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.0073e-01 1.T25 HA = 4.629(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.2478e-01 1.T25 HB = 4.188(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.5650e-01 1.T25 HG21 = 1.124(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4454e-01 1.T25 HG22 = 1.124(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4454e-01 1.T25 HG23 = 1.124(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4454e-01 1.T25 N = 112.895(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9502e-01 1.T26 HG21 = 0.893(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.8286e-01 1.T26 HG22 = 0.893(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.8286e-01 1.T26 HG23 = 0.893(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.8286e-01 1.C27 C = 175.104(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.4070e-01 1.C27 CA = 50.925(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.6780e-02 1.C27 CB = 36.597(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.9438e-01 1.C27 HA = 4.746(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.7575e-01 1.C27 HB3 = 2.798(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.4148e-01 1.N28 CA = 51.669(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.1963e-01 1.N28 CB = 36.797(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.6266e-01 1.N28 H = 8.632(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4301e-01 1.N28 HA = 4.587(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.1766e-01 1.N28 HB2 = 2.829(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.5113e-01 1.N28 HB3 = 2.753(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9275e-01 1.N28 N = 125.373(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.0987e-01 1.V29 CA = 62.420(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8047e-01 1.V29 CB = 29.437(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.5818e-02 1.V29 CG1 = 19.002(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.7338e-02 1.V29 CG2 = 18.413(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.8001e-02 1.V29 HA = 3.844(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.5081e-01 1.V29 HB = 2.111(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.8226e-01 1.V29 HG11 = 1.013(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8153e-01 1.V29 HG12 = 1.013(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8153e-01 1.V29 HG13 = 1.013(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8153e-01 1.V29 HG21 = 0.990(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9741e-01 1.V29 HG22 = 0.990(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9741e-01 1.V29 HG23 = 0.990(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9741e-01 1.G30 HA2 = 4.111(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.0314e-01 1.G30 HA3 = 4.111(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.6849e-01 1.S31 HA = 4.689(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.0132e-01 1.S31 HB2 = 4.005(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.1707e-01 1.S31 HB3 = 4.005(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.6592e-01 1.I32 C = 174.848(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.0176e-01 1.I32 CA = 58.822(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9820e-01 1.I32 CB = 35.534(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2536e-01 1.I32 CG1 = 26.302(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.0198e-01 1.I32 CG2 = 16.312(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.7047e-01 1.I32 CD1 = 10.687(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.0048e-01 1.I32 H = 8.236(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4841e-01 1.I32 HA = 4.734(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.2252e-01 1.I32 HB = 1.905(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.6644e-01 1.I32 HG12 = 1.625(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.8841e-01 1.I32 HG13 = 1.205(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.7082e-01 1.I32 HG21 = 0.999(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9636e-01 1.I32 HG22 = 0.999(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9636e-01 1.I32 HG23 = 0.999(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9636e-01 1.I32 HD11 = 0.723(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I32 HD12 = 0.723(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I32 HD13 = 0.723(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I32 N = 115.138(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.3965e-01 1.A33 C = 175.086(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.1276e-01 1.A33 CA = 48.193(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2473e-02 1.A33 CB = 23.820(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5784e-03 1.A33 H = 9.172(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0523e-01 1.A33 HA = 5.020(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.4119e-02 1.A33 HB1 = 1.127(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9106e-01 1.A33 HB2 = 1.127(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9106e-01 1.A33 HB3 = 1.127(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9106e-01 1.A33 N = 129.673(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8751e-02 1.C34 C = 175.639(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.3925e-01 1.C34 CA = 48.542(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.3860e-03 1.C34 CB = 35.081(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.6638e-01 1.C34 H = 7.933(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.9518e-01 1.C34 HA = 5.970(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.7227e-02 1.C34 HB2 = 3.785(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.0793e-02 1.C34 HB3 = 2.380(D), Expected = 2.89, Std = 0.4600, ChiSquare = 2.6756e-01 1.C34 N = 113.858(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.7372e-01 1.C35 C = 173.312(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.2877e-01 1.C35 CA = 52.285(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.0871e-02 1.C35 CB = 47.488(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.2578e-02 1.C35 H = 9.428(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.2132e-01 1.C35 HA = 6.022(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.3273e-02 1.C35 HB2 = 2.919(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.2576e-01 1.C35 HB3 = 2.607(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.3841e-01 1.C35 N = 118.605(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.3590e-01 1.N36 C = 175.100(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2434e-01 1.N36 CA = 47.801(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2682e-03 1.N36 CB = 38.728(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.8206e-01 1.N36 H = 8.357(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7847e-01 1.N36 HA = 5.378(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.9222e-02 1.N36 HB2 = 2.724(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.8146e-01 1.N36 HB3 = 2.531(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.0692e-01 1.N36 N = 121.706(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.9093e-01 1.S37 C = 173.315(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.4802e-01 1.S37 CA = 54.740(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4517e-02 1.S37 CB = 59.663(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1856e-03 1.S37 H = 8.928(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7207e-01 1.S37 HA = 4.381(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.0452e-01 1.S37 HB2 = 4.249(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.3994e-01 1.S37 HB3 = 3.912(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.1838e-01 1.S37 N = 116.566(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3524e-01 1.P38 C = 178.596(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.2151e-01 1.P38 CA = 63.747(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8382e-01 1.P38 CB = 29.158(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.2527e-02 1.P38 CG = 26.284(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.1631e-01 1.P38 CD = 48.020(D), Expected = 50.32, Std = 0.9900, ChiSquare = 2.0167e-02 1.P38 HA = 4.096(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.5694e-01 1.P38 HB2 = 2.312(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.0742e-01 1.P38 HB3 = 1.940(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.6763e-01 1.P38 HG2 = 2.155(D), Expected = 1.93, Std = 0.3100, ChiSquare = 4.6796e-01 1.P38 HG3 = 1.739(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.2564e-01 1.P38 HD2 = 3.693(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.0222e-01 1.P38 HD3 = 3.693(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.3147e-01 1.A39 C = 179.967(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.9577e-01 1.A39 CA = 52.644(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0220e-01 1.A39 CB = 16.024(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.0274e-01 1.A39 H = 8.168(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5747e-01 1.A39 HA = 4.074(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.7249e-01 1.A39 HB1 = 1.355(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A39 HB2 = 1.355(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A39 HB3 = 1.355(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A39 N = 118.766(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0730e-01 1.E40 C = 178.534(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.9347e-01 1.E40 CA = 55.366(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.4983e-01 1.E40 CB = 27.083(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8803e-02 1.E40 CG = 34.070(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.6476e-02 1.E40 H = 7.417(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.2175e-01 1.E40 HA = 4.210(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.2228e-01 1.E40 HB2 = 2.132(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.9380e-01 1.E40 HB3 = 1.948(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.5511e-01 1.E40 HG3 = 2.200(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.2021e-01 1.E40 N = 115.698(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5308e-01 1.T41 CA = 64.692(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.3986e-01 1.T41 CB = 66.608(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.5450e-02 1.T41 CG2 = 19.113(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.8128e-02 1.T41 H = 8.317(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0116e-01 1.T41 HA = 3.934(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.7315e-01 1.T41 HB = 4.340(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.0645e-01 1.T41 HG21 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T41 HG22 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T41 HG23 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T41 N = 119.642(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7409e-01 1.N42 CA = 52.966(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.6012e-01 1.N42 CB = 36.259(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.5030e-01 1.N42 H = 8.165(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8118e-01 1.N42 HA = 4.380(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.2050e-01 1.N42 HB2 = 2.773(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.0499e-01 1.N42 HB3 = 2.728(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.4685e-01 1.N42 N = 117.108(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.5119e-01 1.N43 C = 173.925(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.5241e-01 1.N43 CA = 50.717(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3320e-01 1.N43 CB = 36.363(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.6854e-01 1.N43 H = 7.487(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7575e-01 1.N43 HA = 4.679(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.8006e-01 1.N43 HB2 = 2.908(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.5190e-01 1.N43 HB3 = 2.817(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.3911e-01 1.N43 N = 114.601(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.8274e-01 1.D44 C = 175.607(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.5045e-01 1.D44 CA = 51.044(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.2485e-02 1.D44 CB = 42.218(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.0885e-01 1.D44 H = 7.699(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.9214e-01 1.D44 HA = 4.962(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.4503e-01 1.D44 HB2 = 2.918(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.4634e-01 1.D44 HB3 = 2.406(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.6433e-01 1.D44 N = 121.583(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0900e-01 1.S45 C = 175.727(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.1983e-01 1.S45 CA = 59.401(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4217e-01 1.S45 CB = 60.275(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.7230e-02 1.S45 H = 9.003(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2042e-01 1.S45 HA = 4.125(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.7481e-01 1.S45 HB2 = 3.928(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4774e-01 1.S45 HB3 = 3.928(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.7267e-01 1.S45 N = 123.695(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.5158e-02 1.L46 C = 178.651(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.0153e-01 1.L46 CA = 55.641(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9213e-01 1.L46 CB = 39.066(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4432e-02 1.L46 CG = 24.980(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.0176e-01 1.L46 CD1 = 23.503(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.4403e-01 1.L46 CD2 = 21.197(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.3301e-02 1.L46 H = 8.040(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7005e-01 1.L46 HA = 4.319(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.9830e-01 1.L46 HB2 = 1.966(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.9507e-01 1.L46 HB3 = 1.664(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.8916e-01 1.L46 HG = 1.446(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.4622e-01 1.L46 HD11 = 0.935(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.0880e-01 1.L46 HD12 = 0.935(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.0880e-01 1.L46 HD13 = 0.935(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.0880e-01 1.L46 HD21 = 0.964(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1973e-01 1.L46 HD22 = 0.964(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1973e-01 1.L46 HD23 = 0.964(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1973e-01 1.L46 N = 124.738(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6055e-01 1.L47 C = 179.128(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8023e-01 1.L47 CA = 55.913(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9059e-01 1.L47 CB = 39.835(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.8801e-01 1.L47 CG = 24.075(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.3929e-02 1.L47 CD1 = 23.954(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.2998e-01 1.L47 CD2 = 21.419(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.2171e-01 1.L47 H = 8.904(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9977e-01 1.L47 HA = 3.860(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.2772e-01 1.L47 HB2 = 2.045(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.0075e-01 1.L47 HB3 = 1.408(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.5572e-01 1.L47 HG = 1.911(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.2431e-01 1.L47 HD11 = 0.865(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L47 HD12 = 0.865(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L47 HD13 = 0.865(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L47 HD21 = 0.761(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L47 HD22 = 0.761(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L47 HD23 = 0.761(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L47 N = 119.264(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0564e-01 1.S48 C = 178.549(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.2354e-02 1.S48 CA = 59.672(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.4559e-01 1.S48 CB = 60.401(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.1640e-02 1.S48 H = 8.455(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6676e-01 1.S48 HA = 3.895(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.4360e-01 1.S48 HB2 = 4.003(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.2272e-01 1.S48 HB3 = 4.003(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.7094e-01 1.S48 N = 111.723(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9546e-01 1.G49 C = 176.449(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.7012e-01 1.G49 CA = 44.588(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6959e-01 1.G49 H = 8.106(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3038e-01 1.G49 HA2 = 3.932(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.1820e-01 1.G49 HA3 = 3.932(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3108e-01 1.G49 N = 112.111(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2820e-01 1.L50 C = 179.525(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0044e-01 1.L50 CA = 55.577(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8389e-01 1.L50 CB = 39.453(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2859e-01 1.L50 CG = 24.220(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.9951e-02 1.L50 CD1 = 24.674(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.7692e-01 1.L50 CD2 = 20.881(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.2305e-02 1.L50 H = 8.531(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4331e-01 1.L50 HA = 4.068(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9184e-01 1.L50 HB2 = 1.987(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.6751e-01 1.L50 HB3 = 1.230(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.2050e-01 1.L50 N = 122.626(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4429e-01 1.L51 C = 181.240(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.1836e-02 1.L51 CA = 56.021(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.5067e-01 1.L51 CB = 40.005(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.2017e-01 1.L51 CG = 24.374(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.8723e-02 1.L51 CD1 = 23.626(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.9142e-01 1.L51 CD2 = 20.731(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.0896e-02 1.L51 H = 8.371(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2827e-01 1.L51 HA = 4.147(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.1281e-01 1.L51 HB2 = 1.949(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.1874e-01 1.L51 HB3 = 1.432(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.0689e-01 1.L51 N = 121.198(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6521e-01 1.G52 C = 174.993(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5028e-01 1.G52 CA = 44.546(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.4851e-01 1.G52 H = 8.383(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3501e-01 1.G52 HA2 = 3.985(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6766e-01 1.G52 HA3 = 3.879(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.5474e-01 1.G52 N = 108.426(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4787e-01 1.A53 C = 177.563(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.3377e-01 1.A53 CA = 49.417(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.0067e-02 1.A53 CB = 17.121(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.0196e-01 1.A53 HA = 4.453(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.6092e-01 1.A53 HB1 = 1.479(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A53 HB2 = 1.479(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A53 HB3 = 1.479(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.G54 C = 174.896(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8524e-01 1.G54 CA = 43.251(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1725e-01 1.G54 H = 7.997(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0844e-01 1.G54 HA2 = 4.160(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.0759e-01 1.G54 HA3 = 3.996(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.9528e-01 1.G54 N = 106.795(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5755e-01 1.L55 C = 176.310(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3127e-01 1.L55 CA = 53.220(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5984e-01 1.L55 CB = 40.589(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5997e-01 1.L55 H = 7.918(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3123e-01 1.L55 HA = 4.374(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0853e-01 1.L55 HB2 = 1.638(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.3437e-01 1.L55 HB3 = 1.638(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.4308e-01 1.L55 N = 118.766(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2758e-01 1.L56 C = 174.945(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.0168e-01 1.L56 CA = 50.395(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4165e-02 1.L56 CB = 41.016(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9127e-01 1.L56 CD1 = 25.077(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.2235e-01 1.L56 CD2 = 20.311(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.7849e-02 1.L56 HA = 4.698(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.2125e-01 1.L56 HB2 = 1.936(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.3765e-01 1.L56 HB3 = 1.312(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.6341e-01 1.N57 C = 173.941(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.5781e-01 1.N57 CA = 50.300(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4816e-02 1.N57 CB = 40.052(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.2029e-01 1.N57 H = 8.099(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0206e-01 1.N57 HA = 4.878(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.6341e-01 1.N57 HB2 = 3.002(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.3568e-01 1.N57 HB3 = 2.383(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.6609e-01 1.N57 N = 118.025(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2232e-01 1.G58 C = 172.755(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5312e-01 1.G58 CA = 41.451(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6177e-03 1.G58 H = 8.198(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3907e-01 1.G58 HA2 = 4.574(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0259e-01 1.G58 HA3 = 3.629(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.6390e-01 1.G58 N = 105.975(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3969e-01 1.L59 C = 177.199(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1594e-01 1.L59 CA = 50.934(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7807e-02 1.L59 CB = 41.945(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4606e-01 1.L59 CG = 24.174(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.7832e-02 1.L59 CD1 = 23.827(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.7436e-01 1.L59 CD2 = 21.176(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.0915e-02 1.L59 H = 7.972(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9142e-01 1.L59 HA = 4.389(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8328e-01 1.L59 HB2 = 1.720(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.4629e-01 1.L59 HB3 = 1.324(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.8614e-01 1.L59 N = 120.054(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4331e-01 1.S60 C = 175.967(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.3355e-01 1.S60 CA = 57.657(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.0758e-01 1.S60 CB = 60.520(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.6677e-02 1.S60 H = 9.043(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9593e-01 1.S60 HA = 4.082(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.1974e-01 1.S60 HB2 = 3.890(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.6809e-01 1.S60 HB3 = 3.801(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.5599e-01 1.S60 N = 122.201(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2549e-02 1.G61 C = 173.814(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7624e-01 1.G61 CA = 43.334(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3246e-01 1.G61 H = 9.019(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8914e-01 1.G61 HA2 = 4.205(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.2534e-01 1.G61 HA3 = 3.797(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8072e-01 1.G61 N = 115.271(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4782e-01 1.N62 C = 174.524(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.7685e-01 1.N62 CA = 48.978(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.5241e-02 1.N62 CB = 37.225(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.8602e-01 1.N62 H = 7.891(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.7603e-01 1.N62 HA = 5.062(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.7620e-01 1.N62 HB2 = 2.683(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.8204e-01 1.N62 HB3 = 2.371(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.5077e-01 1.N62 HD21 = 6.989(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.5200e-01 1.N62 HD22 = 6.892(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.1277e-01 1.N62 N = 120.380(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.1900e-01 1.N62 ND2 = 110.355(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.8283e-01 1.T63 C = 174.646(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.5197e-01 1.T63 CA = 62.721(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4662e-01 1.T63 CB = 66.492(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.6978e-02 1.T63 CG2 = 19.398(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.2533e-02 1.T63 H = 8.695(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6303e-01 1.T63 HA = 4.068(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.1412e-01 1.T63 HG21 = 1.248(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.3867e-01 1.T63 HG22 = 1.248(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.3867e-01 1.T63 HG23 = 1.248(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.3867e-01 1.T63 N = 121.280(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1732e-01 1.G64 C = 174.066(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1697e-01 1.G64 CA = 42.281(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2004e-02 1.G64 H = 8.952(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3861e-01 1.G64 HA2 = 4.336(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.2257e-01 1.G64 HA3 = 3.659(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.1482e-01 1.G64 N = 115.256(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4890e-01 1.S65 C = 172.549(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.2856e-01 1.S65 CA = 56.575(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.0009e-01 1.S65 CB = 62.881(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.3464e-01 1.S65 H = 7.663(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9567e-01 1.S65 HA = 4.151(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1079e-01 1.S65 HB2 = 3.886(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.8085e-01 1.S65 HB3 = 3.756(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.2773e-01 1.S65 N = 114.864(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8748e-01 1.A66 C = 176.000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.1399e-01 1.A66 CA = 48.611(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2174e-02 1.A66 CB = 21.020(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7205e-01 1.A66 H = 7.611(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2626e-01 1.A66 HA = 4.926(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.3012e-01 1.A66 HB1 = 1.317(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A66 HB2 = 1.317(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A66 HB3 = 1.317(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A66 N = 122.216(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7454e-01 1.C67 C = 173.347(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.3870e-01 1.C67 CA = 51.930(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.5759e-02 1.C67 CB = 46.483(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.9897e-02 1.C67 H = 8.693(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.5110e-01 1.C67 HA = 5.558(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.0253e-01 1.C67 HB2 = 2.695(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.4699e-01 1.C67 HB3 = 2.499(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.9533e-01 1.C67 N = 117.089(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.0668e-01 1.A68 C = 175.651(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.2672e-01 1.A68 CA = 48.023(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.7565e-03 1.A68 CB = 21.474(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7816e-01 1.A68 H = 8.793(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2299e-01 1.A68 HA = 4.851(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.7921e-01 1.A68 HB1 = 1.186(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2819e-01 1.A68 HB2 = 1.186(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2819e-01 1.A68 HB3 = 1.186(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2819e-01 1.A68 N = 121.214(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6902e-01 1.K69 C = 177.446(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8695e-01 1.K69 H = 8.774(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.3039e-01 1.K69 N = 121.646(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7439e-01 1.A70 CA = 53.526(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.4543e-01 1.A70 CB = 16.200(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2466e-01 1.A70 H = 8.366(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8204e-01 1.A70 HA = 3.799(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.9476e-01 1.A70 HB1 = 1.215(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.0360e-01 1.A70 HB2 = 1.215(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.0360e-01 1.A70 HB3 = 1.215(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.0360e-01 1.A70 N = 124.172(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9016e-01 1.S71 C = 176.883(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.8828e-01 1.S71 CA = 58.404(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7867e-01 1.S71 CB = 59.350(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.6405e-03 1.S71 H = 8.656(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2394e-01 1.S71 HA = 4.166(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.3245e-01 1.S71 HB2 = 3.903(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.2670e-01 1.S71 HB3 = 3.903(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.4438e-01 1.S71 N = 109.573(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.6728e-02 1.L72 C = 178.740(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.7678e-01 1.L72 CA = 54.809(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0339e-01 1.L72 CB = 40.166(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5411e-01 1.L72 CG = 24.753(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5369e-02 1.L72 CD1 = 23.203(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.4004e-01 1.L72 CD2 = 21.613(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.5171e-01 1.L72 H = 7.006(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9690e-02 1.L72 HA = 4.293(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.5419e-01 1.L72 HB2 = 1.859(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.6395e-01 1.L72 HB3 = 1.640(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.3888e-01 1.L72 HG = 1.594(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.9907e-01 1.L72 HD11 = 0.937(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.0422e-01 1.L72 HD12 = 0.937(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.0422e-01 1.L72 HD13 = 0.937(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.0422e-01 1.L72 HD21 = 0.987(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7551e-01 1.L72 HD22 = 0.987(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7551e-01 1.L72 HD23 = 0.987(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7551e-01 1.L72 N = 125.089(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0770e-01 1.I73 C = 179.135(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.7093e-02 1.I73 CA = 64.287(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1785e-01 1.I73 CB = 34.850(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.1306e-02 1.I73 CG1 = 27.814(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.5064e-01 1.I73 CG2 = 14.128(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.2368e-02 1.I73 CD1 = 12.545(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.9615e-01 1.I73 H = 8.070(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.5746e-01 1.I73 HA = 3.248(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.6055e-02 1.I73 HB = 1.915(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.4156e-01 1.I73 HG12 = 1.728(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.6271e-01 1.I73 HG13 = 0.806(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.4897e-01 1.I73 HG21 = 0.708(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.1838e-01 1.I73 HG22 = 0.708(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.1838e-01 1.I73 HG23 = 0.708(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.1838e-01 1.I73 HD11 = 0.686(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.8349e-01 1.I73 HD12 = 0.686(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.8349e-01 1.I73 HD13 = 0.686(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.8349e-01 1.I73 N = 120.677(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5484e-01 1.D74 C = 178.408(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.5120e-01 1.D74 CA = 54.314(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5306e-01 1.D74 CB = 38.328(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.1519e-01 1.D74 H = 8.102(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1988e-01 1.D74 HA = 4.438(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.3479e-01 1.D74 HB2 = 2.714(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.8159e-01 1.D74 HB3 = 2.544(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.7866e-01 1.D74 N = 118.007(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9352e-01 1.Q75 C = 177.740(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.6336e-01 1.Q75 CA = 56.411(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.4077e-01 1.Q75 CB = 27.093(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.4924e-01 1.Q75 CG = 31.198(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.0993e-02 1.Q75 H = 7.936(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.3026e-01 1.Q75 HA = 4.082(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6918e-01 1.Q75 HB2 = 2.270(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.7886e-01 1.Q75 HB3 = 2.074(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.4707e-01 1.Q75 HG2 = 2.486(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.3868e-01 1.Q75 HG3 = 2.330(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.9030e-01 1.Q75 HE21 = 7.387(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.4392e-01 1.Q75 HE22 = 6.724(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.0112e-01 1.Q75 N = 119.900(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9778e-01 1.Q75 NE2 = 110.243(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.4418e-01 1.L76 C = 176.875(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5368e-01 1.L76 CA = 52.010(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.0107e-02 1.L76 CB = 40.003(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.1977e-01 1.L76 CG = 24.610(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.8527e-02 1.L76 CD1 = 23.280(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.6512e-01 1.L76 CD2 = 20.213(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.4004e-02 1.L76 H = 8.347(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5715e-01 1.L76 HA = 4.377(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0347e-01 1.L76 HB2 = 1.637(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.3671e-01 1.L76 HB3 = 1.530(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.7784e-01 1.L76 HG = 1.711(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.4246e-01 1.L76 HD11 = 0.805(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 1.L76 HD12 = 0.805(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 1.L76 HD13 = 0.805(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 1.L76 HD21 = 0.785(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L76 HD22 = 0.785(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L76 HD23 = 0.785(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L76 N = 114.404(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5903e-02 1.G77 C = 176.543(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.5508e-01 1.G77 CA = 44.626(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8899e-01 1.G77 H = 7.790(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0610e-01 1.G77 HA2 = 3.945(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4613e-01 1.G77 HA3 = 3.945(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.0320e-01 1.G77 N = 109.693(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9526e-01 1.L78 Typing: Mistyped 1.L78 C = 176.543(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2139e-01 1.L78 CA = 50.300(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2502e-02 1.L78 CB = 37.129(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8540e-03 1.L78 CG = 23.583(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.6566e-03 1.L78 CD1 = 23.163(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.2746e-01 1.L78 CD2 = 20.573(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.0826e-02 1.L78 H = 7.585(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2105e-01 1.L78 HA = 4.572(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9184e-01 1.L78 HB2 = 1.842(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.9502e-01 1.L78 HB3 = 1.281(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.0676e-01 1.L78 HG = 1.576(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.4148e-01 1.L78 HD11 = 0.623(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5014e-01 1.L78 HD12 = 0.623(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5014e-01 1.L78 HD13 = 0.623(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5014e-01 1.L78 HD21 = 0.646(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7208e-01 1.L78 HD22 = 0.646(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7208e-01 1.L78 HD23 = 0.646(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7208e-01 1.L78 N = 119.747(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8796e-01 1.L79 C = 179.049(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9839e-01 1.L79 CA = 54.568(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.2138e-01 1.L79 CB = 39.004(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8661e-02 1.L79 CG = 24.856(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.0275e-02 1.L79 CD1 = 22.611(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.8470e-01 1.L79 CD2 = 20.301(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.7433e-02 1.L79 H = 8.034(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6300e-01 1.L79 HA = 3.865(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3300e-01 1.L79 HB2 = 1.743(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.9567e-01 1.L79 HB3 = 1.625(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.7054e-01 1.L79 HG = 1.623(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.3203e-01 1.L79 HD11 = 0.955(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6408e-01 1.L79 HD12 = 0.955(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6408e-01 1.L79 HD13 = 0.955(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6408e-01 1.L79 HD21 = 0.824(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4583e-01 1.L79 HD22 = 0.824(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4583e-01 1.L79 HD23 = 0.824(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4583e-01 1.L79 N = 122.111(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4868e-01 1.A80 C = 179.355(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.4832e-01 1.A80 CA = 51.752(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8330e-01 1.A80 CB = 16.479(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6665e-01 1.A80 H = 8.877(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5918e-01 1.A80 HA = 4.226(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3841e-01 1.A80 HB1 = 1.396(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A80 HB2 = 1.396(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A80 HB3 = 1.396(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A80 N = 120.085(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7432e-01 1.L81 C = 177.622(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.4958e-01 1.L81 CA = 52.873(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9716e-01 1.L81 CB = 41.845(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0464e-01 1.L81 CG = 25.083(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.2290e-01 1.L81 CD1 = 25.098(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.1209e-01 1.L81 CD2 = 20.753(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.2451e-02 1.L81 H = 7.489(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5429e-01 1.L81 HA = 4.421(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.2985e-01 1.L81 HB2 = 1.852(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.7661e-01 1.L81 HB3 = 1.525(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8892e-01 1.L81 HG = 1.417(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.7808e-01 1.L81 HD11 = 0.885(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2970e-01 1.L81 HD12 = 0.885(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2970e-01 1.L81 HD13 = 0.885(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2970e-01 1.L81 HD21 = 0.699(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L81 HD22 = 0.699(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L81 HD23 = 0.699(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L81 N = 113.168(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5833e-02 1.V82 C = 173.690(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.0973e-01 1.V82 CA = 58.191(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3280e-01 1.V82 CB = 33.112(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.3101e-01 1.V82 CG1 = 20.239(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.5765e-01 1.V82 CG2 = 17.813(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.7132e-02 1.V82 H = 7.808(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.7189e-01 1.V82 HA = 5.063(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3228e-01 1.V82 HB = 2.075(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.6656e-01 1.V82 HG11 = 0.729(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9767e-01 1.V82 HG12 = 0.729(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9767e-01 1.V82 HG13 = 0.729(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9767e-01 1.V82 HG21 = 0.777(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.3453e-01 1.V82 HG22 = 0.777(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.3453e-01 1.V82 HG23 = 0.777(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.3453e-01 1.V82 N = 116.754(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3400e-01 1.D83 C = 175.166(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.8072e-01 1.D83 CA = 49.145(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.3042e-03 1.D83 CB = 42.593(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9033e-01 1.D83 H = 8.711(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.8933e-01 1.D83 HA = 5.029(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.7010e-01 1.D83 HB2 = 2.437(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.7639e-01 1.D83 HB3 = 2.126(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.6502e-02 1.D83 N = 121.419(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4209e-01 1.H84 C = 173.878(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.8615e-01 1.H84 CA = 54.102(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.9521e-01 1.H84 CB = 27.687(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.1745e-01 1.H84 H = 8.850(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.6969e-01 1.H84 HA = 4.599(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.7959e-01 1.H84 HB2 = 3.126(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.4243e-01 1.H84 HB3 = 3.202(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.6988e-01 1.H84 HD2 = 7.473(D), Expected = 7.00, Std = 0.4300, ChiSquare = 2.7133e-01 1.H84 HE1 = 8.323(D), Expected = 7.95, Std = 0.4800, ChiSquare = 4.3711e-01 1.H84 N = 119.499(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.6192e-01 1.T85 C = 176.014(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.0231e-01 1.T85 CA = 57.682(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.9753e-02 1.T85 CB = 70.222(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6277e-01 1.T85 CG2 = 19.012(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.2226e-02 1.T85 H = 7.227(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0229e-01 1.T85 HA = 4.860(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.0466e-01 1.T85 HB = 4.452(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.9280e-01 1.T85 HG21 = 1.158(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3762e-01 1.T85 HG22 = 1.158(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3762e-01 1.T85 HG23 = 1.158(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3762e-01 1.T85 N = 114.305(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1441e-01 1.E86 C = 177.196(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6723e-01 1.E86 CA = 56.577(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2221e-01 1.E86 CB = 26.720(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.5775e-02 1.E86 CG = 33.949(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.9376e-02 1.E86 H = 9.235(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.2505e-01 1.E86 HA = 4.111(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.3459e-01 1.E86 HB2 = 2.148(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.4218e-01 1.E86 HB3 = 2.080(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.9557e-01 1.E86 HG2 = 2.387(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.7743e-01 1.E86 HG3 = 2.349(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.5271e-01 1.E86 N = 121.198(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7940e-01 1.E87 C = 174.786(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.8520e-01 1.E87 CA = 53.375(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.9085e-02 1.E87 CB = 28.035(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.5086e-01 1.E87 CG = 34.535(D), Expected = 36.11, Std = 1.1900, ChiSquare = 1.8566e-01 1.E87 H = 7.891(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.5684e-01 1.E87 HA = 4.539(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.8089e-01 1.E87 HB2 = 2.353(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.1280e-01 1.E87 HB3 = 1.688(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.8917e-01 1.E87 HG2 = 2.212(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.8240e-01 1.E87 HG3 = 2.212(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.6287e-01 1.E87 N = 116.046(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8393e-01 1.G88 C = 172.846(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8597e-01 1.G88 CA = 41.764(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4480e-03 1.G88 H = 7.388(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4727e-01 1.G88 HA2 = 5.034(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.0316e-03 1.G88 HA3 = 3.958(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.7544e-01 1.G88 N = 108.655(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9311e-01 1.P89 C = 175.967(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.0408e-01 1.P89 CA = 60.143(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.6019e-02 1.P89 CB = 29.640(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.1085e-02 1.P89 CG = 25.085(D), Expected = 27.17, Std = 1.0900, ChiSquare = 5.5768e-02 1.P89 CD = 50.591(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.8429e-01 1.P89 HA = 5.215(D), Expected = 4.40, Std = 0.3300, ChiSquare = 1.3523e-02 1.P89 HB2 = 1.822(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.6104e-01 1.P89 HB3 = 1.583(D), Expected = 2.00, Std = 0.3600, ChiSquare = 2.4673e-01 1.P89 HG2 = 1.762(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.8786e-01 1.P89 HG3 = 1.762(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.7581e-01 1.P89 HD2 = 3.648(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.9544e-01 1.P89 HD3 = 3.569(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.1627e-01 1.P89 N = 144.273(D), Expected = 134.16, Std = 6.6200, ChiSquare = 1.2660e-01 1.V90 Typing: Mistyped 1.V90 C = 176.249(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4060e-01 1.V90 CA = 56.989(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4427e-02 1.V90 CB = 33.915(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.0796e-01 1.V90 CG1 = 21.552(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.6364e-01 1.V90 CG2 = 15.336(S), Expected = 21.26, Std = 1.5600, ChiSquare = 1.4620e-04 1.V90 H = 8.228(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2627e-01 1.V90 HA = 4.441(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.6519e-01 1.V90 HB = 2.216(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.6082e-01 1.V90 HG11 = 0.689(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8761e-01 1.V90 HG12 = 0.689(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8761e-01 1.V90 HG13 = 0.689(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8761e-01 1.V90 HG21 = 0.569(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.0937e-01 1.V90 HG22 = 0.569(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.0937e-01 1.V90 HG23 = 0.569(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.0937e-01 1.V90 N = 111.498(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3688e-02 1.C91 C = 176.460(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.6572e-01 1.C91 CA = 51.048(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.9423e-02 1.C91 CB = 30.289(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.1420e-01 1.C91 H = 9.690(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.2343e-02 1.C91 HA = 4.947(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.0180e-01 1.C91 HB2 = 3.166(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.3965e-01 1.C91 HB3 = 2.471(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.6236e-01 1.C91 N = 118.846(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.7538e-01 1.K92 Typing: Mistyped 1.K92 C = 175.550(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.8575e-01 1.K92 CA = 56.761(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3154e-01 1.K92 CB = 31.000(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.1460e-01 1.K92 CG = 21.973(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8396e-03 1.K92 CD = 26.852(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.0956e-02 1.K92 CE = 39.390(D), Expected = 41.89, Std = 0.8200, ChiSquare = 2.2977e-03 1.K92 H = 8.767(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.3622e-01 1.K92 HA = 3.772(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.5771e-01 1.K92 HB2 = 1.497(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.5763e-01 1.K92 HB3 = 1.303(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.0555e-01 1.K92 HG2 = 1.290(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.5832e-01 1.K92 HG3 = 1.263(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.5602e-01 1.K92 HD2 = 1.624(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.4926e-01 1.K92 HD3 = 1.562(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.6287e-01 1.K92 HE2 = 2.950(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7454e-01 1.K92 HE3 = 2.950(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.4148e-01 1.K92 N = 125.780(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0961e-01 1.N93 C = 173.573(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.4311e-01 1.N93 CA = 51.336(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.4106e-01 1.N93 CB = 38.289(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1244e-01 1.N93 H = 9.191(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7676e-01 1.N93 HA = 5.077(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.5824e-01 1.N93 HB2 = 3.187(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.2394e-01 1.N93 HB3 = 2.982(D), Expected = 2.75, Std = 0.3300, ChiSquare = 4.8204e-01 1.N93 HD21 = 7.604(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.9669e-01 1.N93 HD22 = 7.159(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.6907e-01 1.N93 N = 115.657(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1670e-01 1.N93 ND2 = 114.513(D), Expected = 112.75, Std = 2.2300, ChiSquare = 4.2919e-01 1.I94 C = 174.384(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.4514e-01 1.I94 CA = 58.742(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8455e-01 1.I94 CB = 39.667(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.0769e-01 1.I94 CG1 = 25.610(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.1130e-01 1.I94 CG2 = 15.126(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.7120e-02 1.I94 CD1 = 11.136(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.6955e-01 1.I94 H = 7.588(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0885e-01 1.I94 HA = 4.178(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.9715e-01 1.I94 HB = 1.529(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.8676e-01 1.I94 HG12 = 1.386(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.9101e-01 1.I94 HG13 = 1.013(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.6595e-01 1.I94 HG21 = 0.796(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2329e-01 1.I94 HG22 = 0.796(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2329e-01 1.I94 HG23 = 0.796(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2329e-01 1.I94 HD11 = 0.626(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.5228e-01 1.I94 HD12 = 0.626(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.5228e-01 1.I94 HD13 = 0.626(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.5228e-01 1.I94 N = 121.711(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5324e-01 1.V95 C = 174.547(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.7225e-01 1.V95 CA = 58.824(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9991e-01 1.V95 CB = 29.892(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1286e-01 1.V95 CG1 = 19.441(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.3191e-01 1.V95 CG2 = 19.085(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.6325e-01 1.V95 H = 8.405(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6372e-01 1.V95 HA = 4.848(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.5659e-01 1.V95 HB = 1.907(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.1955e-01 1.V95 HG11 = 0.906(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7005e-01 1.V95 HG12 = 0.906(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7005e-01 1.V95 HG13 = 0.906(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7005e-01 1.V95 HG21 = 0.935(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2970e-01 1.V95 HG22 = 0.935(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2970e-01 1.V95 HG23 = 0.935(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2970e-01 1.V95 N = 127.897(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3666e-01 1.A96 C = 174.019(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0646e-02 1.A96 CA = 48.016(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.6569e-03 1.A96 CB = 23.560(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2907e-02 1.A96 H = 9.280(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1861e-02 1.A96 HA = 5.094(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.8032e-02 1.A96 HB1 = 1.102(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4016e-01 1.A96 HB2 = 1.102(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4016e-01 1.A96 HB3 = 1.102(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4016e-01 1.A96 N = 129.960(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7285e-02 1.C97 C = 175.164(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.1766e-01 1.C97 CA = 51.552(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.2721e-02 1.C97 CB = 39.288(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.5801e-01 1.C97 H = 9.050(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2459e-01 1.C97 HA = 5.190(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.3523e-01 1.C97 HB2 = 3.024(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.8435e-01 1.C97 HB3 = 2.680(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.4801e-01 1.C97 N = 117.840(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.1556e-01 1.C98 CA = 50.140(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.4268e-02 1.C98 CB = 40.819(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.6579e-01 1.C98 H = 9.135(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.6616e-01 1.C98 HA = 5.176(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.4815e-01 1.C98 HB2 = 3.143(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.7748e-01 1.C98 HB3 = 2.785(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.1944e-01 1.C98 N = 127.652(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.0685e-01 1.P99 C = 176.460(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.4770e-01 1.P99 CA = 60.219(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.0687e-02 1.P99 CB = 29.869(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3188e-02 1.P99 CG = 24.784(D), Expected = 27.17, Std = 1.0900, ChiSquare = 2.8598e-02 1.P99 CD = 48.579(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.8648e-02 1.P99 HA = 4.499(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.6418e-01 1.P99 HB2 = 2.315(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.0195e-01 1.P99 HB3 = 1.961(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.1373e-01 1.P99 HG2 = 1.933(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.9228e-01 1.P99 HG3 = 1.933(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.2034e-01 1.P99 HD2 = 3.859(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.5041e-01 1.P99 HD3 = 3.701(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.1550e-01 1.P99 N = 138.025(D), Expected = 134.16, Std = 6.6200, ChiSquare = 5.5933e-01 1.E100 C = 177.853(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.1419e-01 1.E100 CA = 55.068(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8125e-01 1.E100 CB = 27.193(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0147e-01 1.E100 CG = 33.802(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.2441e-02 1.E100 H = 8.565(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9041e-01 1.E100 HA = 4.162(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.3005e-01 1.E100 HB2 = 1.975(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.3032e-01 1.E100 HB3 = 1.975(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.4800e-01 1.E100 HG2 = 2.299(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.9017e-01 1.E100 HG3 = 2.299(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.2375e-01 1.E100 N = 121.611(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8685e-01 1.G101 C = 174.246(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4148e-01 1.G101 CA = 43.048(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5813e-02 1.G101 H = 8.782(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8681e-01 1.G101 HA2 = 4.176(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.7769e-01 1.G101 HA3 = 3.843(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.7757e-01 1.G101 N = 111.184(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9564e-01 1.T102 C = 174.365(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.2080e-01 1.T102 CA = 58.113(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.1280e-01 1.T102 CB = 67.817(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.4055e-01 1.T102 CG2 = 18.707(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.0429e-02 1.T102 H = 7.692(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.7677e-01 1.T102 HA = 4.675(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.5421e-01 1.T102 HB = 4.313(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.6477e-01 1.T102 HG21 = 1.157(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4108e-01 1.T102 HG22 = 1.157(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4108e-01 1.T102 HG23 = 1.157(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4108e-01 1.T102 N = 111.702(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3378e-01 1.T103 C = 173.877(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.0639e-01 1.T103 CA = 60.022(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.9608e-01 1.T103 CB = 66.732(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5877e-02 1.T103 CG2 = 19.242(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.7592e-02 1.T103 H = 8.108(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3140e-01 1.T103 HA = 4.341(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.0420e-01 1.T103 HB = 4.199(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.2997e-01 1.T103 HG21 = 1.188(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3469e-01 1.T103 HG22 = 1.188(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3469e-01 1.T103 HG23 = 1.188(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3469e-01 1.T103 N = 114.111(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8287e-01 1.N104 C = 174.888(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.3101e-01 1.N104 CA = 50.047(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.3172e-02 1.N104 CB = 37.948(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.6062e-01 1.N104 H = 7.942(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.2755e-01 1.N104 HA = 4.884(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.5221e-01 1.N104 HB2 = 2.599(D), Expected = 2.81, Std = 0.3100, ChiSquare = 4.9610e-01 1.N104 HB3 = 2.599(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.4726e-01 1.N104 HD21 = 7.420(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.8405e-01 1.N104 HD22 = 6.883(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.9994e-01 1.N104 N = 118.368(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.8909e-01 1.N104 ND2 = 112.319(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.4674e-01 1.C105 C = 172.283(D), Expected = 174.95, Std = 2.0700, ChiSquare = 1.9760e-01 1.C105 CA = 54.258(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.2482e-01 1.C105 CB = 46.501(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.9739e-02 1.C105 H = 8.622(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.2914e-01 1.C105 HA = 5.069(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.5710e-01 1.C105 HB2 = 3.357(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.6691e-01 1.C105 HB3 = 2.512(D), Expected = 2.89, Std = 0.4600, ChiSquare = 4.1123e-01 1.C105 N = 119.096(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.1695e-01 1.V106 C = 175.114(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9000e-01 1.V106 CA = 58.243(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3755e-01 1.V106 CB = 32.522(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0749e-01 1.V106 CG1 = 18.717(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.1453e-02 1.V106 CG2 = 17.783(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.5824e-02 1.V106 H = 8.713(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2782e-01 1.V106 HA = 4.548(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.3708e-01 1.V106 HB = 2.016(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.1043e-01 1.V106 HG11 = 0.958(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2250e-01 1.V106 HG12 = 0.958(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2250e-01 1.V106 HG13 = 0.958(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2250e-01 1.V106 HG21 = 0.901(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.1831e-01 1.V106 HG22 = 0.901(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.1831e-01 1.V106 HG23 = 0.901(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.1831e-01 1.V106 N = 118.666(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8580e-01 1.A107 C = 177.829(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6667e-01 1.A107 CA = 50.461(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7605e-01 1.A107 CB = 16.765(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1991e-01 1.A107 H = 8.887(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5221e-01 1.A107 HA = 4.267(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8731e-01 1.A107 HB1 = 1.415(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0259e-01 1.A107 HB2 = 1.415(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0259e-01 1.A107 HB3 = 1.415(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0259e-01 1.A107 N = 129.905(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9350e-02 1.V108 C = 175.721(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.5761e-01 1.V108 CA = 59.756(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3910e-01 1.V108 CB = 30.083(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.3920e-01 1.V108 CG1 = 19.272(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.0292e-01 1.V108 CG2 = 17.642(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.0383e-02 1.V108 H = 8.490(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V108 HA = 4.158(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.5600e-01 1.V108 HB = 2.095(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.1931e-01 1.V108 HG11 = 0.905(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7299e-01 1.V108 HG12 = 0.905(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7299e-01 1.V108 HG13 = 0.905(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7299e-01 1.V108 HG21 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V108 HG22 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V108 HG23 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V108 N = 118.702(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9126e-01 1.D109 C = 175.686(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8327e-01 1.D109 CA = 51.421(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.0732e-01 1.D109 CB = 38.934(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.2966e-01 1.D109 H = 8.400(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7669e-01 1.D109 HA = 4.669(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.0500e-01 1.D109 HB2 = 2.684(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.8988e-01 1.D109 HB3 = 2.628(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.0901e-01 1.D109 N = 122.907(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5874e-01 1.N110 C = 175.265(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.9777e-01 1.N110 CA = 50.653(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.2463e-01 1.N110 CB = 36.375(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.7074e-01 1.N110 H = 8.447(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6514e-01 1.N110 HA = 4.695(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.4464e-01 1.N110 HB2 = 2.860(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.7186e-01 1.N110 HB3 = 2.774(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.4202e-01 1.N110 HD21 = 7.601(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.0103e-01 1.N110 HD22 = 6.867(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.7743e-01 1.N110 N = 120.059(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.7936e-01 1.N110 ND2 = 112.477(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.0257e-01 1.A111 C = 178.468(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.3251e-01 1.A111 CA = 50.714(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2048e-01 1.A111 CB = 16.564(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8135e-01 1.A111 H = 8.360(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8973e-01 1.A111 HA = 4.297(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3298e-01 1.A111 HB1 = 1.417(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9664e-01 1.A111 HB2 = 1.417(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9664e-01 1.A111 HB3 = 1.417(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9664e-01 1.A111 N = 124.606(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9750e-01 1.G112 C = 174.321(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1041e-01 1.G112 CA = 43.021(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2200e-02 1.G112 H = 8.391(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2523e-01 1.G112 HA2 = 3.946(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4828e-01 1.G112 HA3 = 3.946(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.0106e-01 1.G112 N = 108.057(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7683e-01 1.A113 C = 178.404(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.5524e-01 1.A113 CA = 50.384(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6395e-01 1.A113 CB = 16.859(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3983e-01 1.A113 H = 8.126(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0184e-01 1.A113 HA = 4.329(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.7539e-01 1.A113 HB1 = 1.416(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9961e-01 1.A113 HB2 = 1.416(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9961e-01 1.A113 HB3 = 1.416(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9961e-01 1.A113 N = 123.908(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4811e-01 1.G114 C = 174.440(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.6174e-01 1.G114 CA = 42.913(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8964e-02 1.G114 H = 8.421(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8866e-01 1.G114 HA2 = 3.996(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4398e-01 1.G114 HA3 = 3.996(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.9528e-01 1.G114 N = 108.093(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8365e-01 1.T115 C = 174.402(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3750e-01 1.T115 CA = 59.526(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9827e-01 1.T115 CB = 67.518(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.7476e-01 1.T115 CG2 = 19.103(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.7489e-02 1.T115 H = 8.026(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2997e-01 1.T115 HA = 4.322(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.7373e-01 1.T115 HB = 4.196(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.3720e-01 1.T115 HG21 = 1.176(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 1.T115 HG22 = 1.176(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 1.T115 HG23 = 1.176(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 1.T115 N = 114.234(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0283e-01 1.K116 C = 175.912(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.1586e-01 1.K116 CA = 53.583(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.2590e-01 1.K116 CB = 30.789(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6095e-01 1.K116 CG = 22.222(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.8223e-02 1.K116 CD = 26.587(D), Expected = 28.96, Std = 1.0800, ChiSquare = 2.8005e-02 1.K116 CE = 39.560(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.4907e-03 1.K116 H = 8.362(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7437e-01 1.K116 HA = 4.350(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5573e-01 1.K116 HB2 = 1.833(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.3211e-01 1.K116 HB3 = 1.749(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7341e-01 1.K116 HG2 = 1.415(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.6259e-01 1.K116 HG3 = 1.415(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.1643e-01 1.K116 HD2 = 1.664(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.0610e-01 1.K116 HD3 = 1.664(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.7112e-01 1.K116 HE2 = 2.974(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.7625e-01 1.K116 HE3 = 2.974(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.4897e-01 1.K116 N = 124.603(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4597e-01 1.A117 C = 176.703(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.2636e-01 1.A117 CA = 50.036(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.1696e-01 1.A117 CB = 16.812(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.2972e-01 1.A117 H = 8.404(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3386e-01 1.A117 HA = 4.346(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.4504e-01 1.A117 HB1 = 1.383(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A117 HB2 = 1.383(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A117 HB3 = 1.383(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A117 N = 127.153(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6778e-01 1.E118 C = 180.826(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.2487e-02 1.E118 CA = 55.314(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3715e-01 1.E118 CB = 28.668(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.3525e-01 1.E118 CG = 34.071(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.6631e-02 1.E118 H = 7.947(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1624e-01 1.E118 HA = 4.113(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.3827e-01 1.E118 HB2 = 2.040(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.2413e-01 1.E118 HB3 = 1.868(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.9581e-01 1.E118 HG2 = 2.185(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.8565e-01 1.E118 HG3 = 2.185(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.6765e-01 1.E118 N = 125.310(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8242e-01