Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.833 CA :: 52.208(D) CB :: 18.684(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.423(D) HB1 :: 1.440(D) HB2 :: 1.440(D) HB3 :: 1.440(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 C 0.4 K 0.05 C Shift Assignments>> C :: 176.651 CA :: 55.311(D) CB :: 31.742(D) CG :: 31.512 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.560(D) HA :: 4.526(D) HB2 :: 2.664(D) HB3 :: 2.615 HG2 :: 2.127(D) HG3 :: 2.030(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.619(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.2 C 0.04 D 0.01 C Shift Assignments>> C :: 174.067 CA :: 44.799(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.414(D) HA2 :: 4.041(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.213(D) Ave N Shift Values>> N :: 109.67(3.87) 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 :: 174.726 CA :: 57.743(D) CB :: 63.556(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.156(D) HA :: 4.574(D) HB2 :: 3.924(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 :: 115.680(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.850 CA :: 61.968(D) CB :: 32.414(D) CG1 :: 20.870(D) CG2 :: 19.967(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 :: 8.218(D) HA :: 4.238(D) HB :: 2.178(D) HG11 :: 0.994(D) HG12 :: 0.994(D) HG13 :: 0.994(D) HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 120.988(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.48 L 0.3 K 0.12 C 0.08 C Shift Assignments>> C :: 176.315 CA :: 53.989(D) CB :: 41.059(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 :: 8.377(D) HA :: 4.704(D) HB2 :: 2.786(D) HB3 :: 2.678(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 :: 123.609(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.588 CA :: 58.149(D) CB :: 63.355(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.191(D) HA :: 4.457(D) HB2 :: 3.972(D) HB3 :: 3.873(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 :: 116.317(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.615 CA :: 52.639(D) CB :: 18.975(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.380(D) HA :: 4.355(D) HB1 :: 1.453(D) HB2 :: 1.453(D) HB3 :: 1.453(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.738(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.49 L 0.3 K 0.11 C 0.08 C Shift Assignments>> C :: 176.271 CA :: 53.940(D) CB :: 41.019(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 :: 8.155(D) HA :: 4.627(D) HB2 :: 2.769(D) HB3 :: 2.680(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 :: 118.889(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 178.378 CA :: 52.535(D) CB :: 19.046(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.195(D) HA :: 4.374(D) HB1 :: 1.468(D) HB2 :: 1.468(D) HB3 :: 1.468(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.672(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.15 C 0.03 D 0.01 C Shift Assignments>> C :: 174.968 CA :: 44.983(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.398(D) HA2 :: 4.049(D) HA3 :: 3.999(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.549(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.18 C 0.04 D 0.01 C Shift Assignments>> C :: 174.877 CA :: 44.854(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.240(D) HA2 :: 4.071(D) HA3 :: 4.017(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.423(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.2 C 0.04 D 0.01 C Shift Assignments>> C :: 174.354 CA :: 44.799(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.374(D) HA2 :: 4.093(D) HA3 :: 4.047(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.762(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.212 CA :: 58.159(D) CB :: 63.480(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.726(D) HA :: 4.445(D) HB2 :: 3.783(D) HB3 :: 3.808(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 :: 115.066(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.12 C 0.03 C Shift Assignments>> C :: 174.950 CA :: 45.149(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.600(D) HA2 :: 3.973(D) HA3 :: 3.973(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.645(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 C 0.21 K 0.19 E 0.18 H 0.14 M 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 176.720 CA :: 58.473 CB :: 29.085(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.360(D) HA :: 4.438(D) HB2 :: 3.313(D) HB3 :: 3.195(D) HD1 :: 7.408(D) HE1 :: 10.635(D) HE3 :: 6.781 HZ2 :: 7.371(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.301(D) NE1 :: 129.844 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.69 C 0.26 A 0.03 C Shift Assignments>> C :: 177.419 CA :: 55.083(D) CB :: 41.938(D) CG :: 26.485(D) CD1 :: 24.614(D) CD2 :: 23.192(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 :: 7.986(D) HA :: 3.957(D) HB2 :: 1.265(D) HB3 :: 1.391(D) HG :: 1.387(D) HD11 :: 0.529(D) HD12 :: 0.529(D) HD13 :: 0.529(D) HD21 :: 0.675(D) HD22 :: 0.675(D) HD23 :: 0.675(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 :: 119.225(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.755 CA :: 63.688(D) CB :: 69.221(D) CG2 :: 21.392 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 :: 7.674(D) HA :: 3.916(D) HB :: 4.125(D) HG21 :: 1.132(D) HG22 :: 1.132(D) HG23 :: 1.132(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 :: 111.186(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 C 0.03 C Shift Assignments>> C :: 174.084 CA :: 45.265(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.271(D) HA2 :: 3.818(D) HA3 :: 3.818(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.672(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.19 W 0.19 H 0.18 K 0.17 C 0.17 M 0.05 C Shift Assignments>> C :: 175.364 CA :: 57.300(D) CB :: 29.549(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.727(D) HA :: 4.402(D) HB2 :: 3.092(D) HB3 :: 3.230(D) HD1 :: 7.170(D) HE1 :: 10.184(D) HE3 :: 7.545 HZ2 :: 7.381(D) HH2 :: 6.966 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.299(D) NE1 :: 129.169 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.76 C 0.13 A 0.06 G 0.04 C Shift Assignments>> C :: 174.672 CA :: 52.214(D) CB :: 42.426(D) CD1 :: 23.577 CD2 :: 24.990 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 :: 7.259(D) HA :: 4.197(D) HB2 :: 1.472(D) HB3 :: 1.515(D) HG :: 1.262(D) HD11 :: 0.765(D) HD12 :: 0.765(D) HD13 :: 0.765(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 :: 120.415(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.235 CA :: 62.850(D) CB :: 31.530(D) CG :: 26.906 CD :: 49.992 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 :: 4.321(D) HB2 :: 1.728(D) HB3 :: 1.728(D) HG2 :: 1.369(D) HG3 :: 1.369(D) HD2 :: 3.588(D) HD3 :: 3.588(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) 1.T24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.484 CA :: 61.973(D) CB :: 69.187(D) CG2 :: 21.237 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 :: 8.440(D) HA :: 3.971(D) HB :: 4.170(D) HG21 :: 1.177(D) HG22 :: 1.177(D) HG23 :: 1.177(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 :: 111.222(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 W 0.18 E 0.18 H 0.18 C 0.16 M 0.04 L 0.01 C Shift Assignments>> C :: 175.333 CA :: 57.030(D) CB :: 29.206(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.147(D) HA :: 4.541(D) HB2 :: 3.368(D) HB3 :: 3.160(D) HD1 :: 7.287(D) HE1 :: 10.716(D) HE3 :: 7.573(D) HZ2 :: 7.392(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.050(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 C 0.19 H 0.13 W 0.12 K 0.11 E 0.08 M 0.01 C Shift Assignments>> C :: 172.496 CA :: 55.617 CB :: 27.389 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.496(D) HA :: 4.463(D) HB2 :: 2.713(D) HB3 :: 2.275(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 :: 119.070(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.934 CA :: 63.150(D) CB :: 31.877(D) CG :: 26.877(D) CD :: 50.373 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 :: 4.453(D) HB2 :: 2.303(D) HB3 :: 2.303(D) HG2 :: 1.937(D) HG3 :: 1.937(D) HD2 :: 3.736(D) HD3 :: 3.736(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) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.777 CA :: 61.583(D) CB :: 69.329(D) CG2 :: 21.416(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 :: 4.305(D) HB :: 4.343(D) HG21 :: 1.109(D) HG22 :: 1.109(D) HG23 :: 1.109(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 :: 113.618(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 174.829 CA :: 58.031(D) CB :: 63.434(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.053(D) HA :: 4.482(D) HB2 :: 3.892(D) HB3 :: 3.749(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 :: 117.677(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.741 CA :: 61.625(D) CB :: 69.128(D) CG2 :: 21.121(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 :: 8.267(D) HA :: 4.262(D) HB :: 4.351(D) HG21 :: 1.127(D) HG22 :: 1.127(D) HG23 :: 1.127(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 :: 115.410(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 174.768 CA :: 58.407 CB :: 63.649(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.127(D) HA :: 4.269(D) HB2 :: 3.736(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 :: 117.746(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> H 0.21 K 0.18 W 0.17 E 0.16 C 0.16 M 0.07 L 0.01 C Shift Assignments>> C :: 174.693 CA :: 55.490(D) CB :: 29.437(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 :: 8.357(D) HA :: 4.733(D) HB2 :: 3.257(D) HB3 :: 3.058(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 :: 120.607 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.7 C 0.25 A 0.03 C Shift Assignments>> C :: 177.088 CA :: 54.820(D) CB :: 42.017(D) CG :: 26.595(D) CD1 :: 24.638(D) CD2 :: 23.197(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 :: 8.076(D) HA :: 4.257(D) HB2 :: 1.522(D) HB3 :: 1.609(D) HG :: 1.523(D) HD11 :: 0.858(D) HD12 :: 0.858(D) HD13 :: 0.858(D) HD21 :: 0.809(D) HD22 :: 0.809(D) HD23 :: 0.809(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 :: 123.242(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.54 C 0.44 C Shift Assignments>> C :: 176.563 CA :: 56.073(D) CB :: 32.721(D) CG :: 24.285 CD :: 28.715(D) CE :: 41.622(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 :: 8.082(D) HA :: 4.274(D) HB2 :: 1.675(D) HB3 :: 1.793(D) HG2 :: 1.353(D) HG3 :: 1.353(D) HD2 :: 1.711(D) HD3 :: 1.745(D) HE2 :: 3.049(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 :: 122.166(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.43 C 0.34 K 0.12 M 0.08 C Shift Assignments>> C :: 176.271 CA :: 56.435(D) CB :: 29.861(D) CG :: 35.916(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 :: 7.924(D) HA :: 4.077(D) HB2 :: 1.828(D) HB3 :: 1.828(D) HG2 :: 2.206(D) HG3 :: 1.998(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 :: 122.287(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> C :: 177.535 CA :: 52.291(D) CB :: 18.793(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.254(D) HA :: 4.356(D) HB1 :: 1.465(D) HB2 :: 1.465(D) HB3 :: 1.465(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.163(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.46 C 0.37 M 0.1 K 0.06 C Shift Assignments>> C :: 176.315 CA :: 56.247(D) CB :: 30.203(D) CG :: 36.425(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 :: 8.253(D) HA :: 4.344(D) HB2 :: 2.131(D) HB3 :: 2.001(D) HG2 :: 2.352(D) HG3 :: 2.252(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 :: 119.567(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.42 C 0.33 K 0.12 M 0.1 C Shift Assignments>> C :: 175.311 CA :: 56.258(D) CB :: 30.008(D) CG :: 35.765(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 :: 8.313(D) HA :: 4.358(D) HB2 :: 2.119(D) HB3 :: 1.999(D) HG2 :: 2.327(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 :: 122.512(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.49 K 0.46 V 0.03 C Shift Assignments>> C :: 181.185 CA :: 57.186(D) CB :: 33.504(D) CG :: 24.133 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 :: 7.932(D) HA :: 4.239(D) HB2 :: 1.901(D) HB3 :: 1.775(D) HG2 :: 1.414 HG3 :: 1.463 HD2 :: 1.574 HE2 :: 2.589(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 :: 127.795(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 38 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 38 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 39 #Suspicious: 0 C Shift Results: #Consistent: 52 #Duplicate: 82 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 10 #Duplicate: 205 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 3 #Duplicate: 34 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A2 CA = 52.208(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.3785e-01 1.A2 CB = 18.684(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5861e-01 1.A2 HA = 4.423(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.1104e-01 1.A2 HB1 = 1.440(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2923e-01 1.A2 HB2 = 1.440(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2923e-01 1.A2 HB3 = 1.440(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2923e-01 1.M3 CA = 55.311(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.2012e-01 1.M3 CB = 31.742(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.7743e-01 1.M3 H = 8.560(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.1707e-01 1.M3 HA = 4.526(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.0904e-01 1.M3 HB2 = 2.664(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.2223e-02 1.M3 HG2 = 2.127(D), Expected = 2.42, Std = 0.3500, ChiSquare = 4.0251e-01 1.M3 HG3 = 2.030(D), Expected = 2.39, Std = 0.3800, ChiSquare = 3.4345e-01 1.M3 N = 119.619(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.9504e-01 1.G4 CA = 44.799(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8093e-01 1.G4 H = 8.414(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9718e-01 1.G4 HA2 = 4.041(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.4783e-01 1.G4 N = 110.213(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8842e-01 1.S5 CA = 57.743(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.3694e-01 1.S5 CB = 63.556(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6905e-01 1.S5 H = 8.156(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3354e-01 1.S5 HA = 4.574(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.1421e-01 1.S5 HB2 = 3.924(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.6029e-01 1.S5 N = 115.680(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6465e-01 1.V6 CA = 61.968(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.5518e-01 1.V6 CB = 32.414(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.5987e-01 1.V6 CG1 = 20.870(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.4847e-01 1.V6 CG2 = 19.967(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.0719e-01 1.V6 H = 8.218(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.1442e-01 1.V6 HA = 4.238(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.3404e-01 1.V6 HB = 2.178(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.3608e-01 1.V6 HG11 = 0.994(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2819e-01 1.V6 HG12 = 0.994(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2819e-01 1.V6 HG13 = 0.994(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2819e-01 1.V6 N = 120.988(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7329e-01 1.D7 CA = 53.989(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.2985e-01 1.D7 CB = 41.059(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.1202e-01 1.D7 H = 8.377(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0804e-01 1.D7 HA = 4.704(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.2165e-01 1.D7 HB2 = 2.786(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.9961e-01 1.D7 HB3 = 2.678(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.4874e-01 1.D7 N = 123.609(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.4333e-01 1.S8 CA = 58.149(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8267e-01 1.S8 CB = 63.355(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6366e-01 1.S8 H = 8.191(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8010e-01 1.S8 HA = 4.457(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.5415e-01 1.S8 HB2 = 3.972(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.1287e-01 1.S8 HB3 = 3.873(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.3211e-01 1.S8 N = 116.317(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9161e-01 1.A9 CA = 52.639(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0024e-01 1.A9 CB = 18.975(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8474e-01 1.A9 H = 8.380(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01 1.A9 HA = 4.355(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.2906e-01 1.A9 HB1 = 1.453(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9199e-01 1.A9 HB2 = 1.453(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9199e-01 1.A9 HB3 = 1.453(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9199e-01 1.A9 N = 125.738(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7865e-01 1.D10 CA = 53.940(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.1179e-01 1.D10 CB = 41.019(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3162e-01 1.D10 H = 8.155(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8928e-01 1.D10 HA = 4.627(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.0795e-01 1.D10 HB2 = 2.769(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.5051e-01 1.D10 HB3 = 2.680(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.4306e-01 1.D10 N = 118.889(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4823e-01 1.A11 CA = 52.535(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5994e-01 1.A11 CB = 19.046(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8431e-01 1.A11 H = 8.195(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9335e-01 1.A11 HA = 4.374(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.9556e-01 1.A11 HB1 = 1.468(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.4994e-01 1.A11 HB2 = 1.468(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.4994e-01 1.A11 HB3 = 1.468(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.4994e-01 1.A11 N = 124.672(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8375e-01 1.G12 CA = 44.983(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8418e-01 1.G12 H = 8.398(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1668e-01 1.G12 HA2 = 4.049(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3093e-01 1.G12 HA3 = 3.999(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8903e-01 1.G12 N = 107.549(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8365e-01 1.G13 CA = 44.854(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.1127e-01 1.G13 H = 8.240(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8988e-01 1.G13 HA2 = 4.071(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8487e-01 1.G13 HA3 = 4.017(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.5184e-01 1.G13 N = 108.423(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4728e-01 1.G14 CA = 44.799(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8093e-01 1.G14 H = 8.374(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4603e-01 1.G14 HA2 = 4.093(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.3956e-01 1.G14 HA3 = 4.047(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.9115e-01 1.G14 N = 108.762(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1450e-01 1.S15 CA = 58.159(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8638e-01 1.S15 CB = 63.480(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.2882e-01 1.S15 H = 8.726(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.4969e-01 1.S15 HA = 4.445(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.3027e-01 1.S15 HB2 = 3.783(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.9802e-01 1.S15 HB3 = 3.808(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.7638e-01 1.S15 N = 115.066(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3018e-01 1.G16 CA = 45.149(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8076e-01 1.G16 H = 8.600(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.7786e-01 1.G16 HA2 = 3.973(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9353e-01 1.G16 HA3 = 3.973(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4359e-01 1.G16 N = 110.645(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0109e-01 1.W17 CB = 29.085(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.4537e-01 1.W17 H = 8.360(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2939e-01 1.W17 HA = 4.438(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.4796e-01 1.W17 HB2 = 3.313(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.2527e-01 1.W17 HB3 = 3.195(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.3497e-01 1.W17 HD1 = 7.408(D), Expected = 7.14, Std = 0.3600, ChiSquare = 4.5661e-01 1.W17 HE1 = 10.635(D), Expected = 10.08, Std = 0.6600, ChiSquare = 4.0040e-01 1.W17 HZ2 = 7.371(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.8273e-01 1.W17 N = 121.301(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.2776e-01 1.L18 CA = 55.083(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0095e-01 1.L18 CB = 41.938(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4314e-01 1.L18 CG = 26.485(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.8856e-01 1.L18 CD1 = 24.614(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.4685e-01 1.L18 CD2 = 23.192(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.1377e-01 1.L18 H = 7.986(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0737e-01 1.L18 HA = 3.957(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.3991e-01 1.L18 HB2 = 1.265(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.1025e-01 1.L18 HB3 = 1.391(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.2009e-01 1.L18 HG = 1.387(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.0935e-01 1.L18 HD11 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L18 HD12 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L18 HD13 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L18 HD21 = 0.675(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L18 HD22 = 0.675(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L18 HD23 = 0.675(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L18 N = 119.225(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9927e-01 1.T19 CA = 63.688(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7085e-01 1.T19 CB = 69.221(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.5484e-01 1.T19 H = 7.674(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.6129e-01 1.T19 HA = 3.916(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.5707e-01 1.T19 HB = 4.125(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.9153e-01 1.T19 HG21 = 1.132(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.7225e-01 1.T19 HG22 = 1.132(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.7225e-01 1.T19 HG23 = 1.132(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.7225e-01 1.T19 N = 111.186(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7273e-01 1.G20 CA = 45.265(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4942e-01 1.G20 H = 8.271(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2768e-01 1.G20 HA2 = 3.818(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.8121e-01 1.G20 HA3 = 3.818(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2461e-01 1.G20 N = 109.672(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9959e-01 1.W21 CA = 57.300(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.8903e-01 1.W21 CB = 29.549(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.1859e-01 1.W21 H = 7.727(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.7606e-01 1.W21 HA = 4.402(D), Expected = 4.68, Std = 0.5300, ChiSquare = 5.9991e-01 1.W21 HB2 = 3.092(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.7948e-01 1.W21 HB3 = 3.230(D), Expected = 3.12, Std = 0.3600, ChiSquare = 7.5994e-01 1.W21 HD1 = 7.170(D), Expected = 7.14, Std = 0.3600, ChiSquare = 9.3359e-01 1.W21 HE1 = 10.184(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.7479e-01 1.W21 HZ2 = 7.381(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.5956e-01 1.W21 N = 119.299(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.6894e-01 1.L22 CA = 52.214(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0981e-01 1.L22 CB = 42.426(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5080e-01 1.L22 H = 7.259(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3522e-01 1.L22 HA = 4.197(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9355e-01 1.L22 HB2 = 1.472(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.8483e-01 1.L22 HB3 = 1.515(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8892e-01 1.L22 HG = 1.262(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.5234e-01 1.L22 HD11 = 0.765(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.5728e-01 1.L22 HD12 = 0.765(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.5728e-01 1.L22 HD13 = 0.765(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.5728e-01 1.L22 HD21 = 0.699(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L22 HD22 = 0.699(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L22 HD23 = 0.699(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 1.L22 N = 120.415(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1100e-01 1.P23 CA = 62.850(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.5216e-01 1.P23 CB = 31.530(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8625e-01 1.P23 HA = 4.321(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.1080e-01 1.P23 HB2 = 1.728(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.1455e-01 1.P23 HB3 = 1.728(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.4992e-01 1.P23 HG2 = 1.369(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.0346e-02 1.P23 HG3 = 1.369(D), Expected = 1.90, Std = 0.3300, ChiSquare = 1.0760e-01 1.P23 HD2 = 3.588(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.5940e-01 1.P23 HD3 = 3.588(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.5502e-01 1.T24 CA = 61.973(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.2402e-01 1.T24 CB = 69.187(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.3904e-01 1.T24 H = 8.440(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4701e-01 1.T24 HA = 3.971(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.0832e-01 1.T24 HB = 4.170(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.0000e+00 1.T24 HG21 = 1.177(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7220e-01 1.T24 HG22 = 1.177(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7220e-01 1.T24 HG23 = 1.177(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7220e-01 1.T24 N = 111.222(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7681e-01 1.W25 CA = 57.030(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.0709e-01 1.W25 CB = 29.206(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.8916e-01 1.W25 H = 7.147(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.4794e-01 1.W25 HA = 4.541(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.9312e-01 1.W25 HB2 = 3.368(D), Expected = 3.19, Std = 0.3500, ChiSquare = 6.1105e-01 1.W25 HB3 = 3.160(D), Expected = 3.12, Std = 0.3600, ChiSquare = 9.1153e-01 1.W25 HD1 = 7.287(D), Expected = 7.14, Std = 0.3600, ChiSquare = 6.8303e-01 1.W25 HE1 = 10.716(D), Expected = 10.08, Std = 0.6600, ChiSquare = 3.3523e-01 1.W25 HE3 = 7.573(D), Expected = 7.31, Std = 0.4100, ChiSquare = 5.2122e-01 1.W25 HZ2 = 7.392(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.3431e-01 1.W25 N = 121.050(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.8020e-01 1.C26 H = 7.496(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.8210e-01 1.C26 HA = 4.463(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.2021e-01 1.C26 HB2 = 2.713(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.7455e-01 1.C26 HB3 = 2.275(D), Expected = 2.89, Std = 0.4600, ChiSquare = 1.8124e-01 1.C26 N = 119.070(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.1260e-01 1.P27 CA = 63.150(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0573e-01 1.P27 CB = 31.877(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8175e-01 1.P27 CG = 26.877(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.8808e-01 1.P27 HA = 4.453(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.7240e-01 1.P27 HB2 = 2.303(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.2403e-01 1.P27 HB3 = 2.303(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.9997e-01 1.P27 HG2 = 1.937(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.8198e-01 1.P27 HG3 = 1.937(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.1073e-01 1.P27 HD2 = 3.736(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.0590e-01 1.P27 HD3 = 3.736(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.4664e-01 1.T28 CA = 61.583(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.0572e-01 1.T28 CB = 69.329(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0567e-01 1.T28 CG2 = 21.416(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.0391e-01 1.T28 H = 8.108(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3140e-01 1.T28 HA = 4.305(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.4676e-01 1.T28 HB = 4.343(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.0011e-01 1.T28 HG21 = 1.109(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9278e-01 1.T28 HG22 = 1.109(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9278e-01 1.T28 HG23 = 1.109(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9278e-01 1.T28 N = 113.618(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0441e-01 1.S29 CA = 58.031(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.3925e-01 1.S29 CB = 63.434(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.0468e-01 1.S29 H = 8.053(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.0043e-01 1.S29 HA = 4.482(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.9601e-01 1.S29 HB2 = 3.892(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.6172e-01 1.S29 HB3 = 3.749(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.0835e-01 1.S29 N = 117.677(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9146e-01 1.T30 CA = 61.625(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1830e-01 1.T30 CB = 69.128(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1189e-01 1.T30 CG2 = 21.121(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.9914e-01 1.T30 H = 8.267(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6526e-01 1.T30 HA = 4.262(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.7997e-01 1.T30 HB = 4.351(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.8336e-01 1.T30 HG21 = 1.127(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5493e-01 1.T30 HG22 = 1.127(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5493e-01 1.T30 HG23 = 1.127(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5493e-01 1.T30 N = 115.410(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9832e-01 1.S31 CB = 63.649(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1874e-01 1.S31 H = 8.127(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9539e-01 1.S31 HA = 4.269(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.9785e-01 1.S31 HB2 = 3.736(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.6462e-01 1.S31 N = 117.746(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.7706e-01 1.H32 CA = 55.490(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.5568e-01 1.H32 CB = 29.437(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.9807e-01 1.H32 H = 8.357(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.6339e-01 1.H32 HA = 4.733(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.7484e-01 1.H32 HB2 = 3.257(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.6276e-01 1.H32 HB3 = 3.058(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.6222e-01 1.L33 CA = 54.820(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0722e-01 1.L33 CB = 42.017(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7615e-01 1.L33 CG = 26.595(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6644e-01 1.L33 CD1 = 24.638(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.5887e-01 1.L33 CD2 = 23.197(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.1583e-01 1.L33 H = 8.076(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1272e-01 1.L33 HA = 4.257(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9337e-01 1.L33 HB2 = 1.522(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9577e-01 1.L33 HB3 = 1.609(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.0474e-01 1.L33 HG = 1.523(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.6858e-01 1.L33 HD11 = 0.858(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9971e-01 1.L33 HD12 = 0.858(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9971e-01 1.L33 HD13 = 0.858(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9971e-01 1.L33 HD21 = 0.809(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8530e-01 1.L33 HD22 = 0.809(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8530e-01 1.L33 HD23 = 0.809(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8530e-01 1.L33 N = 123.242(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2307e-01 1.K34 CA = 56.073(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9016e-01 1.K34 CB = 32.721(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.6908e-01 1.K34 CD = 28.715(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2054e-01 1.K34 CE = 41.622(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.4380e-01 1.K34 H = 8.082(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5715e-01 1.K34 HA = 4.274(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9275e-01 1.K34 HB2 = 1.675(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.7449e-01 1.K34 HB3 = 1.793(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.4438e-01 1.K34 HG2 = 1.353(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.4787e-01 1.K34 HG3 = 1.353(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.9145e-01 1.K34 HD2 = 1.711(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.4617e-01 1.K34 HD3 = 1.745(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.0984e-01 1.K34 HE2 = 3.049(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.9717e-01 1.K34 N = 122.166(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6721e-01 1.E35 CA = 56.435(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.7197e-01 1.E35 CB = 29.861(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3097e-01 1.E35 CG = 35.916(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.7050e-01 1.E35 H = 7.924(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9137e-01 1.E35 HA = 4.077(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.7306e-01 1.E35 HB2 = 1.828(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.6057e-01 1.E35 HB3 = 1.828(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.8122e-01 1.E35 HG2 = 2.206(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.6055e-01 1.E35 HG3 = 1.998(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.5202e-01 1.E35 N = 122.287(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4218e-01 1.A36 CA = 52.291(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6808e-01 1.A36 CB = 18.793(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0561e-01 1.A36 H = 8.254(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2829e-01 1.A36 HA = 4.356(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.2729e-01 1.A36 HB1 = 1.465(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.5827e-01 1.A36 HB2 = 1.465(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.5827e-01 1.A36 HB3 = 1.465(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.5827e-01 1.A36 N = 124.163(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9212e-01 1.E37 CA = 56.247(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0767e-01 1.E37 CB = 30.203(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1066e-01 1.E37 CG = 36.425(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.9124e-01 1.E37 H = 8.253(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9616e-01 1.E37 HA = 4.344(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1866e-01 1.E37 HB2 = 2.131(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.9710e-01 1.E37 HB3 = 2.001(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.6186e-01 1.E37 HG2 = 2.352(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.9618e-01 1.E37 HG3 = 2.252(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.9275e-01 1.E37 N = 119.567(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5128e-01 1.E38 CA = 56.258(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1136e-01 1.E38 CB = 30.008(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.9907e-01 1.E38 CG = 35.765(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.7188e-01 1.E38 H = 8.313(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7701e-01 1.E38 HA = 4.358(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.9223e-01 1.E38 HB2 = 2.119(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.3733e-01 1.E38 HB3 = 1.999(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.6879e-01 1.E38 HG2 = 2.327(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.8606e-01 1.E38 N = 122.512(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.9659e-01 1.K39 CA = 57.186(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1457e-01 1.K39 CB = 33.504(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8833e-01 1.K39 H = 7.932(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6720e-01 1.K39 HA = 4.239(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4383e-01 1.K39 HB2 = 1.901(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.2839e-01 1.K39 HB3 = 1.775(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.9686e-01 1.K39 HE2 = 2.589(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.1490e-02 1.K39 N = 127.795(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3595e-02