Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> D 0.17 L 0.14 M 0.11 H 0.09 Q 0.08 N 0.08 K 0.07 A 0.06 E 0.05 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 171.906(D) CA :: 54.961(D) 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>> HA :: 4.141(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) 1.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.06 M 0.05 H 0.04 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.633(D) CA :: 52.708(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 :: 9.002(D) HA :: 4.803(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 :: 122.939(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 T 0.23 I 0.19 P 0.15 S 0.09 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.757(D) CA :: 62.499(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 :: 8.341(D) HA :: 4.037(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 :: 121.482(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 E 0.12 S 0.1 K 0.1 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 HN Overlap>> 1.A124 1.A85 1.A124 1.A85 C Shift Assignments>> C :: 175.721(D) CA :: 57.873(D) 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 :: 8.377(D) HA :: 4.604(D) 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 :: 124.107(D) Ave N Shift Values>> N :: 120.45(4.18) 1.M5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 D 0.14 M 0.12 H 0.1 Q 0.09 K 0.07 N 0.06 E 0.05 A 0.05 F 0.04 Y 0.04 S 0.01 HN Overlap>> 1.Y39 1.M127 1.Y39 1.M127 C Shift Assignments>> C :: 175.863(D) CA :: 55.205(D) 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 :: 8.258(D) HA :: 4.416(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 :: 122.727(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.13 Q 0.12 H 0.12 E 0.11 M 0.1 F 0.09 Y 0.08 L 0.07 S 0.05 D 0.03 I 0.01 N 0.01 C Shift Assignments>> C :: 177.160(D) CA :: 56.904(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 :: 8.346(D) HA :: 4.207(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 :: 123.094(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.1 F 0.01 HN Overlap>> 1.G111 1.G111 1.G106 1.G106 C Shift Assignments>> C :: 174.212(D) CA :: 45.294(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.492(D) HA2 :: 3.940(D) HA3 :: 3.940(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.178(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.15 M 0.12 H 0.1 Q 0.09 K 0.07 N 0.07 A 0.05 E 0.05 F 0.04 Y 0.04 S 0.01 C Shift Assignments>> C :: 177.716(D) CA :: 55.123(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 :: 8.140(D) HA :: 4.388(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 :: 121.739(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.16 F 0.15 S 0.14 E 0.1 K 0.09 H 0.07 Q 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 HN Overlap>> 1.T81 1.T81 C Shift Assignments>> C :: 174.738(D) CA :: 58.352(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.393(D) HA :: 4.414(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 :: 116.958(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.13 H 0.13 K 0.12 M 0.11 E 0.1 L 0.09 F 0.07 Y 0.07 D 0.05 S 0.04 N 0.01 A 0.01 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 176.764(D) CA :: 56.548(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 :: 8.473(D) HA :: 4.352(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 :: 123.840(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 178.137(D) CA :: 52.804(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.337(D) HA :: 4.246(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.899(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.13 Q 0.13 M 0.12 K 0.11 L 0.09 E 0.09 F 0.07 Y 0.07 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.K102 1.V70 1.K102 1.V70 C Shift Assignments>> C :: 176.880(D) CA :: 56.467(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 :: 8.366(D) HA :: 4.268(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 :: 120.829(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 H 0.13 Q 0.12 L 0.11 K 0.1 E 0.08 D 0.06 F 0.06 Y 0.06 S 0.03 N 0.02 A 0.01 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 176.710(D) CA :: 56.179(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 :: 8.430(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 :: 121.567(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.1 F 0.01 C Shift Assignments>> C :: 174.109(D) CA :: 45.293(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.515(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.346(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 T 0.21 P 0.19 I 0.17 S 0.13 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.725(D) CA :: 62.811(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 :: 8.051(D) HA :: 4.073(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 :: 120.354(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 T 0.22 I 0.18 P 0.17 S 0.12 F 0.01 Y 0.01 HN Overlap>> 1.V49 1.V49 1.A29 1.A29 C Shift Assignments>> C :: 176.282(D) CA :: 62.699(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 :: 8.350(D) HA :: 4.043(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 :: 125.345(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 178.005(D) CA :: 52.768(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.499(D) HA :: 4.243(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.200(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.V82 1.V82 1.A30 1.A90 1.A91 1.A30 1.A90 1.A91 C Shift Assignments>> C :: 178.080(D) CA :: 52.793(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.355(D) HA :: 4.223(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.482(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 178.273(D) CA :: 52.896(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.296(D) HA :: 4.269(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.951(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.12 H 0.12 Q 0.12 K 0.1 E 0.08 D 0.07 F 0.06 Y 0.06 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 176.460(D) CA :: 56.047(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 :: 8.297(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 :: 119.461(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.13 H 0.13 K 0.12 M 0.11 E 0.1 L 0.08 F 0.08 Y 0.08 S 0.04 D 0.04 N 0.01 A 0.01 C Shift Assignments>> C :: 177.130(D) CA :: 56.706(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 :: 8.383(D) HA :: 4.347(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 :: 122.551(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.22 P 0.11 S 0.07 F 0.03 Y 0.02 HN Overlap>> 1.T44 1.T33 1.T44 1.T33 1.S42 1.S42 C Shift Assignments>> C :: 174.728(D) CA :: 62.149(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 :: 8.222(D) HA :: 4.300(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 :: 115.646(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.13 Q 0.13 H 0.12 E 0.11 M 0.1 F 0.08 Y 0.08 L 0.08 S 0.04 D 0.04 N 0.01 I 0.01 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 176.806(D) CA :: 56.781(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 :: 8.468(D) HA :: 4.284(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 :: 123.975(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 H 0.13 Q 0.12 L 0.11 K 0.1 E 0.08 D 0.06 F 0.06 Y 0.06 S 0.03 N 0.02 A 0.01 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 176.675(D) CA :: 56.179(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 :: 8.515(D) HA :: 4.302(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 :: 121.905(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 HN Overlap>> 1.G47 1.G47 1.G36 1.G36 C Shift Assignments>> C :: 174.317(D) CA :: 45.338(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.511(D) HA2 :: 3.999(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 :: 110.548(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.23 I 0.18 P 0.16 S 0.1 F 0.02 Y 0.01 HN Overlap>> 1.I112 1.I112 1.V48 1.V48 C Shift Assignments>> C :: 176.407(D) CA :: 62.592(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 :: 8.092(D) HA :: 4.083(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 :: 120.024(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.A76 1.A76 C Shift Assignments>> C :: 178.102(D) CA :: 52.777(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.483(D) HA :: 4.293(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.538(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 C Shift Assignments>> C :: 176.168(D) CA :: 55.926(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 :: 8.388(D) HA :: 4.300(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 :: 120.081(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.26 D 0.13 L 0.06 M 0.05 H 0.03 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.V49 1.V16 1.V49 1.V16 C Shift Assignments>> C :: 177.696(D) CA :: 52.616(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 :: 4.262(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.375(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.V82 1.A18 1.V82 1.A18 1.A90 1.A91 1.A90 1.A91 C Shift Assignments>> C :: 178.543(D) CA :: 52.809(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.353(D) HA :: 4.290(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.479(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.296(D) CA :: 45.318(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.403(D) HA2 :: 3.934(D) HA3 :: 3.934(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.009(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.13 H 0.13 Q 0.13 K 0.11 L 0.1 E 0.09 F 0.07 Y 0.06 D 0.06 S 0.03 N 0.02 A 0.01 HN Overlap>> 1.K102 1.V70 1.K102 1.V70 C Shift Assignments>> C :: 177.101(D) CA :: 56.305(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 :: 8.230(D) HA :: 4.405(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 :: 120.824(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 I 0.24 V 0.23 P 0.1 S 0.06 F 0.03 Y 0.03 HN Overlap>> 1.T22 1.S42 1.S87 1.T22 1.S42 1.S87 C Shift Assignments>> C :: 174.613(D) CA :: 62.029(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 :: 8.264(D) HA :: 4.310(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 :: 115.748(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.13 Q 0.13 M 0.12 K 0.11 L 0.09 E 0.09 F 0.07 Y 0.07 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 176.515(D) CA :: 56.474(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 :: 8.516(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 :: 124.200(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>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.1 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 176.519(D) CA :: 55.964(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 :: 8.457(D) HA :: 4.340(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 :: 121.786(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.11 F 0.01 HN Overlap>> 1.G47 1.G25 1.G47 1.G25 C Shift Assignments>> C :: 173.985(D) CA :: 45.214(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.513(D) HA2 :: 3.955(D) HA3 :: 3.955(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.467(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.25 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.066(D) CA :: 62.377(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 :: 8.051(D) HA :: 4.070(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 :: 119.693(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.14 M 0.11 H 0.09 N 0.08 Q 0.08 A 0.07 K 0.06 E 0.04 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 176.713(D) CA :: 54.933(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 :: 8.362(D) HA :: 4.341(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 :: 126.002(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.15 Y 0.14 E 0.12 S 0.11 K 0.1 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 V 0.01 D 0.01 T 0.01 HN Overlap>> 1.M5 1.M5 1.M127 1.M127 C Shift Assignments>> C :: 175.631(D) CA :: 57.936(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.349(D) HA :: 4.574(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.734(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.22 P 0.12 S 0.07 F 0.02 Y 0.02 HN Overlap>> 1.E137 1.E137 1.A69 1.A69 C Shift Assignments>> C :: 176.162(D) CA :: 62.188(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 :: 8.141(D) HA :: 4.052(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 :: 123.862(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.12 F 0.01 C Shift Assignments>> C :: 174.006(D) CA :: 45.143(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.090(D) HA2 :: 3.930(D) HA3 :: 3.930(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.300(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.16 F 0.15 S 0.15 E 0.1 K 0.08 H 0.07 Q 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 HN Overlap>> 1.T33 1.T22 1.T33 1.T22 C Shift Assignments>> C :: 174.969(D) CA :: 58.373(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.323(D) HA :: 4.441(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 :: 115.667(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 Q 0.13 M 0.12 K 0.11 E 0.09 L 0.09 F 0.07 Y 0.07 D 0.05 S 0.04 N 0.01 A 0.01 C Shift Assignments>> C :: 176.988(D) CA :: 56.516(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 :: 8.577(D) HA :: 4.404(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 :: 123.635(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.23 P 0.11 S 0.06 F 0.03 Y 0.03 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 174.565(D) CA :: 62.058(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 :: 8.204(D) HA :: 4.295(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 :: 115.635(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.13 Q 0.13 M 0.12 K 0.11 L 0.09 E 0.09 F 0.07 Y 0.07 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 176.519(D) CA :: 56.454(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 :: 8.471(D) HA :: 4.296(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 :: 124.248(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.1 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 HN Overlap>> 1.E130 1.Q24 1.E130 1.Q24 C Shift Assignments>> C :: 176.520(D) CA :: 55.966(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 :: 8.465(D) HA :: 4.341(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 :: 121.923(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.12 F 0.01 HN Overlap>> 1.G25 1.G36 1.G25 1.G36 C Shift Assignments>> C :: 173.798(D) CA :: 45.145(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.514(D) HA2 :: 3.910(D) HA3 :: 3.910(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.501(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.21 P 0.12 S 0.08 F 0.02 Y 0.02 HN Overlap>> 1.I112 1.V26 1.I112 1.V26 C Shift Assignments>> C :: 176.197(D) CA :: 62.275(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 :: 8.067(D) HA :: 4.092(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 :: 120.014(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.21 P 0.12 S 0.07 F 0.02 Y 0.02 HN Overlap>> 1.V16 1.A29 1.V16 1.A29 C Shift Assignments>> C :: 175.995(D) CA :: 62.261(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 :: 8.383(D) HA :: 4.060(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 :: 125.385(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.15 M 0.12 H 0.1 Q 0.09 N 0.07 K 0.07 A 0.06 E 0.05 F 0.04 Y 0.04 S 0.01 C Shift Assignments>> C :: 174.714(D) CA :: 55.102(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 :: 8.801(D) HA :: 4.737(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 :: 123.566(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.14 F 0.01 D 0.01 C Shift Assignments>> C :: 173.764(D) CA :: 45.045(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.558(D) HA2 :: 4.001(D) HA3 :: 4.001(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.793(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 I 0.24 V 0.23 P 0.1 S 0.06 F 0.03 Y 0.03 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 176.038(D) CA :: 61.995(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 :: 8.197(D) HA :: 4.152(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 :: 119.829(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.35 N 0.27 D 0.12 L 0.06 M 0.04 H 0.03 Q 0.02 K 0.01 P 0.01 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.933(D) CA :: 52.428(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.586(D) HA :: 4.409(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.563(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 T 0.25 V 0.23 P 0.09 S 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.664(D) CA :: 61.847(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 :: 4.320(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 :: 115.029(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.23 I 0.19 P 0.15 S 0.1 F 0.02 Y 0.02 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 175.971(D) CA :: 62.515(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 :: 8.327(D) HA :: 4.081(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 :: 123.318(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.26 D 0.13 L 0.06 M 0.05 H 0.03 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 177.923(D) CA :: 52.616(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.504(D) HA :: 4.281(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.981(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 C Shift Assignments>> C :: 176.419(D) CA :: 55.909(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 :: 8.375(D) HA :: 4.310(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 :: 120.285(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.13 H 0.13 K 0.12 M 0.11 E 0.1 L 0.08 F 0.08 Y 0.08 S 0.04 D 0.04 N 0.01 A 0.01 C Shift Assignments>> C :: 177.037(D) CA :: 56.703(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 :: 8.504(D) HA :: 4.343(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 :: 122.955(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.22 P 0.12 S 0.07 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.596(D) CA :: 62.186(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 :: 8.247(D) HA :: 4.283(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 :: 115.983(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.13 H 0.13 K 0.12 M 0.11 E 0.1 L 0.09 F 0.07 Y 0.07 D 0.04 S 0.04 N 0.01 A 0.01 HN Overlap>> 1.K10 1.K10 1.K23 1.K23 C Shift Assignments>> C :: 176.651(D) CA :: 56.588(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 :: 8.436(D) HA :: 4.292(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 :: 123.922(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 175.973(D) CA :: 55.941(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 :: 8.413(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 :: 121.778(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.14 H 0.11 Q 0.11 K 0.09 D 0.09 E 0.07 F 0.05 Y 0.05 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 175.938(D) CA :: 55.804(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 :: 8.505(D) HA :: 4.343(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 :: 122.370(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.25 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.374(D) CA :: 62.346(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 :: 8.386(D) HA :: 4.197(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 :: 122.206(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.24 V 0.22 P 0.08 S 0.04 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.052(D) CA :: 61.748(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 :: 8.376(D) HA :: 4.363(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 :: 118.359(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.296(D) CA :: 53.090(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 :: 8.604(D) HA :: 4.781(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 :: 121.975(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.22 I 0.18 P 0.17 S 0.11 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.915(D) CA :: 62.662(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 :: 8.327(D) HA :: 4.123(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 :: 120.956(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.700(D) CA :: 45.325(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.632(D) HA2 :: 3.971(D) HA3 :: 3.971(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.847(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.15 F 0.01 D 0.01 C Shift Assignments>> C :: 173.763(D) CA :: 45.005(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.303(D) HA2 :: 3.939(D) HA3 :: 3.939(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.923(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.35 N 0.27 D 0.12 L 0.06 M 0.04 H 0.03 Q 0.02 P 0.02 K 0.01 F 0.01 Y 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 177.726(D) CA :: 52.299(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.240(D) HA :: 4.347(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.879(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.24 I 0.19 P 0.14 S 0.09 F 0.02 Y 0.02 HN Overlap>> 1.K32 1.K102 1.K32 1.K102 1.E114 1.K12 1.E131 1.V118 1.E114 1.K12 1.E131 1.V118 C Shift Assignments>> C :: 176.410(D) CA :: 62.429(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 :: 8.307(D) HA :: 4.067(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 :: 120.772(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.22 P 0.11 S 0.06 F 0.03 Y 0.03 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 176.353(D) CA :: 62.127(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 :: 8.486(D) HA :: 4.216(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 :: 125.772(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.25 V 0.23 P 0.09 S 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 174.947(D) CA :: 61.914(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 :: 8.398(D) HA :: 4.364(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 :: 118.970(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.11 F 0.01 C Shift Assignments>> C :: 174.046(D) CA :: 45.237(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.511(D) HA2 :: 3.987(D) HA3 :: 3.987(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.497(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.25 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> C :: 176.641(D) CA :: 62.326(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 :: 8.167(D) HA :: 4.184(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 :: 119.726(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 I 0.24 V 0.23 P 0.1 S 0.06 F 0.03 Y 0.03 C Shift Assignments>> C :: 174.139(D) CA :: 61.996(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 :: 8.385(D) HA :: 4.311(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 :: 119.301(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.27 D 0.13 L 0.06 M 0.04 H 0.03 Q 0.02 K 0.01 P 0.01 F 0.01 Y 0.01 HN Overlap>> 1.A27 1.A27 C Shift Assignments>> C :: 177.673(D) CA :: 52.470(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.458(D) HA :: 4.338(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.631(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.25 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 HN Overlap>> 1.F94 1.E123 1.F94 1.E123 C Shift Assignments>> C :: 176.113(D) CA :: 62.322(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 :: 8.232(D) HA :: 4.039(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 :: 120.362(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.27 D 0.13 L 0.06 M 0.04 H 0.03 Q 0.02 K 0.02 F 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 177.755(D) CA :: 52.523(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.492(D) HA :: 4.284(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.375(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 M 0.13 H 0.11 Q 0.11 D 0.09 K 0.09 E 0.07 F 0.05 Y 0.05 N 0.04 A 0.03 S 0.02 HN Overlap>> 1.E139 1.E104 1.E139 1.E104 C Shift Assignments>> C :: 176.083(D) CA :: 55.702(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 :: 8.475(D) HA :: 4.288(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 :: 120.570(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.13 Q 0.13 M 0.12 K 0.11 L 0.1 E 0.09 F 0.07 Y 0.07 D 0.05 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 176.760(D) CA :: 56.429(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 :: 8.508(D) HA :: 4.352(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 :: 123.315(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 I 0.24 V 0.23 P 0.1 S 0.06 F 0.03 Y 0.03 HN Overlap>> 1.S9 1.S9 C Shift Assignments>> C :: 174.444(D) CA :: 61.993(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 :: 8.339(D) HA :: 4.333(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 :: 116.978(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.25 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 HN Overlap>> 1.A18 1.A30 1.A91 1.A18 1.A30 1.A91 C Shift Assignments>> C :: 176.159(D) CA :: 62.329(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 :: 8.389(D) HA :: 4.115(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 :: 123.570(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.14 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 176.566(D) CA :: 55.868(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 :: 8.588(D) HA :: 4.363(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 :: 124.881(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.12 F 0.01 C Shift Assignments>> C :: 174.062(D) CA :: 45.178(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.584(D) HA2 :: 3.956(D) HA3 :: 3.956(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.928(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.A124 1.A124 1.F4 1.F4 C Shift Assignments>> C :: 178.596(D) CA :: 52.926(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.379(D) HA :: 4.305(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.107(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 F 0.01 C Shift Assignments>> C :: 174.356(D) CA :: 45.258(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.584(D) HA2 :: 3.971(D) HA3 :: 3.971(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.397(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.15 S 0.15 E 0.1 K 0.08 H 0.07 Q 0.06 M 0.05 I 0.04 L 0.03 V 0.02 T 0.02 D 0.01 HN Overlap>> 1.T33 1.T33 C Shift Assignments>> C :: 174.748(D) CA :: 58.401(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.211(D) HA :: 4.460(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 :: 115.837(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 S 0.06 F 0.06 Y 0.06 P 0.05 E 0.01 K 0.01 H 0.01 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 176.358(D) CA :: 61.313(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 :: 8.262(D) HA :: 4.161(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 :: 122.945(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.26 D 0.13 L 0.06 M 0.05 H 0.03 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.A17 1.A17 C Shift Assignments>> C :: 177.659(D) CA :: 52.654(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.422(D) HA :: 4.249(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.230(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.27 D 0.13 L 0.06 M 0.04 H 0.03 Q 0.02 K 0.02 F 0.01 P 0.01 Y 0.01 HN Overlap>> 1.A18 1.A30 1.A18 1.A30 1.A91 1.A91 C Shift Assignments>> C :: 177.809(D) CA :: 52.511(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.285(D) HA :: 4.247(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.479(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.26 D 0.13 L 0.06 M 0.05 H 0.03 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.V82 1.A18 1.A30 1.A90 1.V82 1.A18 1.A30 1.A90 C Shift Assignments>> C :: 178.212(D) CA :: 52.632(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.362(D) HA :: 4.353(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.547(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.23 P 0.1 S 0.06 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.233(D) CA :: 62.051(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 :: 8.168(D) HA :: 4.297(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 :: 112.861(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.12 F 0.01 C Shift Assignments>> C :: 173.748(D) CA :: 45.159(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.376(D) HA2 :: 3.913(D) HA3 :: 3.913(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.781(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 E 0.12 S 0.1 K 0.1 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 HN Overlap>> 1.E123 1.V77 1.E123 1.V77 C Shift Assignments>> C :: 175.651(D) CA :: 57.876(D) 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 :: 8.157(D) HA :: 4.601(D) 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 :: 120.435(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.22 P 0.11 S 0.06 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.678(D) CA :: 62.123(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 :: 8.100(D) HA :: 4.000(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 :: 123.746(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 Q 0.13 M 0.12 K 0.11 E 0.09 L 0.09 F 0.07 Y 0.07 D 0.05 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 176.664(D) CA :: 56.489(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 :: 8.436(D) HA :: 4.208(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 :: 126.255(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.13 H 0.13 K 0.12 M 0.11 E 0.1 L 0.08 F 0.08 Y 0.07 D 0.04 S 0.04 N 0.01 A 0.01 C Shift Assignments>> C :: 176.563(D) CA :: 56.630(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 :: 8.470(D) HA :: 4.273(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 :: 123.170(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.120(D) CA :: 53.037(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 :: 8.589(D) HA :: 4.667(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 :: 119.944(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.14 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 A 0.02 S 0.02 HN Overlap>> 1.E105 1.E105 C Shift Assignments>> C :: 175.928(D) CA :: 55.864(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 :: 8.449(D) HA :: 4.316(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 :: 121.122(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 D 0.13 M 0.12 H 0.1 Q 0.09 K 0.08 E 0.06 N 0.06 F 0.05 A 0.04 Y 0.04 S 0.01 HN Overlap>> 1.V55 1.V55 C Shift Assignments>> C :: 177.964(D) CA :: 55.337(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 :: 8.310(D) HA :: 4.339(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 :: 123.247(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 F 0.01 HN Overlap>> 1.G132 1.G132 C Shift Assignments>> C :: 174.241(D) CA :: 45.258(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.463(D) HA2 :: 3.940(D) HA3 :: 3.940(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.725(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.13 Q 0.13 M 0.12 K 0.11 L 0.1 E 0.09 F 0.07 Y 0.07 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.K32 1.K32 1.V70 1.K12 1.V70 1.K12 C Shift Assignments>> C :: 176.617(D) CA :: 56.405(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 :: 8.262(D) HA :: 4.302(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 :: 120.811(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.26 A 0.25 D 0.14 L 0.08 M 0.06 H 0.04 Q 0.03 K 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.361(D) CA :: 53.377(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 :: 8.630(D) HA :: 4.677(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 :: 119.435(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.14 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 HN Overlap>> 1.Q79 1.E139 1.E114 1.E131 1.V118 1.Q79 1.E139 1.E114 1.E131 1.V118 C Shift Assignments>> C :: 176.103(D) CA :: 55.887(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 :: 8.397(D) HA :: 4.378(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 :: 120.614(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 H 0.12 L 0.12 Q 0.12 K 0.1 E 0.08 D 0.07 F 0.06 Y 0.06 S 0.03 N 0.02 A 0.02 HN Overlap>> 1.Q99 1.Q99 C Shift Assignments>> C :: 176.519(D) CA :: 56.092(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 :: 8.430(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 :: 121.017(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.15 F 0.01 D 0.01 HN Overlap>> 1.G111 1.G7 1.G111 1.G7 C Shift Assignments>> C :: 173.385(D) CA :: 44.977(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.480(D) HA2 :: 3.930(D) HA3 :: 3.930(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.203(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A107 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.191(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.927(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.24 V 0.21 T 0.18 S 0.17 I 0.14 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.104(D) CA :: 63.157(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 :: 4.423(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.Q109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 M 0.13 H 0.11 Q 0.11 D 0.09 K 0.09 E 0.07 F 0.05 Y 0.05 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 176.048(D) CA :: 55.758(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 :: 8.603(D) HA :: 4.287(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 :: 120.814(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 176.514(D) CA :: 55.917(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 :: 8.499(D) HA :: 4.366(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 :: 121.645(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 HN Overlap>> 1.G7 1.G106 1.G7 1.G106 C Shift Assignments>> C :: 174.089(D) CA :: 45.356(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.515(D) HA2 :: 3.939(D) HA3 :: 3.939(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.217(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 S 0.06 F 0.06 Y 0.06 P 0.05 E 0.01 K 0.01 H 0.01 HN Overlap>> 1.V26 1.V48 1.V26 1.V48 C Shift Assignments>> C :: 176.549(D) CA :: 61.282(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 :: 8.039(D) HA :: 4.161(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 :: 119.955(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 D 0.14 M 0.12 H 0.1 Q 0.09 K 0.07 N 0.06 E 0.05 A 0.05 F 0.04 Y 0.04 S 0.01 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 177.366(D) CA :: 55.258(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 :: 8.382(D) HA :: 4.346(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 :: 125.783(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 M 0.13 H 0.11 Q 0.11 D 0.09 K 0.09 E 0.07 F 0.05 Y 0.05 N 0.03 A 0.03 S 0.02 HN Overlap>> 1.V70 1.V70 1.E131 1.V118 1.E104 1.E131 1.V118 1.E104 C Shift Assignments>> C :: 175.574(D) CA :: 55.739(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 :: 8.341(D) HA :: 4.358(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 :: 120.686(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.650(D) CA :: 52.733(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 :: 8.455(D) HA :: 4.700(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 :: 119.428(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M116 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.258(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 :: 121.870(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 P 0.2 I 0.16 S 0.14 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.731(D) CA :: 62.891(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 :: 4.447(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.V118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.21 P 0.13 S 0.08 F 0.02 Y 0.02 HN Overlap>> 1.V70 1.E114 1.E131 1.V70 1.E114 1.E131 1.E104 1.E104 C Shift Assignments>> C :: 175.773(D) CA :: 62.287(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 :: 8.338(D) HA :: 4.037(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 :: 120.682(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D119 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.690(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 :: 123.493(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.24 P 0.24 V 0.19 T 0.16 I 0.12 C Shift Assignments>> C :: 176.834(D) CA :: 63.596(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 :: 4.358(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.D121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.974(D) CA :: 53.033(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 :: 8.388(D) HA :: 4.673(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 :: 117.584(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.26 A 0.24 D 0.15 L 0.08 M 0.06 H 0.05 Q 0.04 K 0.03 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.373(D) CA :: 53.431(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 :: 8.265(D) HA :: 4.702(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 :: 118.874(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 H 0.12 Q 0.12 L 0.11 K 0.1 E 0.08 D 0.07 F 0.06 Y 0.06 S 0.03 N 0.02 A 0.01 HN Overlap>> 1.F94 1.F94 1.V77 1.V77 C Shift Assignments>> C :: 175.930(D) CA :: 56.145(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 :: 8.232(D) HA :: 4.300(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 :: 120.362(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.A85 1.F4 1.A85 1.F4 C Shift Assignments>> C :: 177.492(D) CA :: 52.817(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290(D) HA :: 4.224(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.120(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 E 0.12 K 0.1 S 0.1 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.490(D) CA :: 57.831(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.020(D) HA :: 4.508(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.644(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.14 M 0.12 H 0.09 Q 0.09 N 0.07 K 0.07 A 0.06 E 0.05 F 0.04 Y 0.04 S 0.01 C Shift Assignments>> C :: 175.153(D) CA :: 55.056(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 :: 8.015(D) HA :: 4.312(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 :: 122.182(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M127 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.M5 1.Y39 1.M5 1.Y39 H Shift Assignments>> H :: 8.306(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 :: 122.799(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.24 S 0.24 V 0.19 T 0.16 I 0.12 C Shift Assignments>> C :: 177.147(D) CA :: 63.567(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 :: 4.355(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.S129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.15 F 0.15 E 0.1 K 0.08 H 0.06 Q 0.06 M 0.04 I 0.04 V 0.03 L 0.03 T 0.02 D 0.01 C Shift Assignments>> C :: 174.969(D) CA :: 58.574(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.402(D) HA :: 4.369(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 :: 115.246(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 L 0.13 H 0.12 Q 0.11 K 0.09 D 0.08 E 0.07 F 0.06 Y 0.05 N 0.03 S 0.02 A 0.02 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 176.115(D) CA :: 55.907(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 :: 8.398(D) HA :: 4.386(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 :: 121.918(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 H 0.13 Q 0.12 L 0.11 K 0.1 E 0.08 F 0.06 Y 0.06 D 0.06 S 0.03 N 0.02 A 0.01 HN Overlap>> 1.V70 1.E114 1.V70 1.E114 1.V118 1.E104 1.V118 1.E104 C Shift Assignments>> C :: 176.528(D) CA :: 56.233(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 :: 8.334(D) HA :: 4.286(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 :: 120.682(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.1 F 0.01 HN Overlap>> 1.G101 1.G101 C Shift Assignments>> C :: 174.051(D) CA :: 45.266(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.419(D) HA2 :: 3.879(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 :: 109.826(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.16 F 0.15 S 0.13 E 0.11 K 0.09 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.03 V 0.02 T 0.01 D 0.01 C Shift Assignments>> C :: 175.943(D) CA :: 58.192(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.079(D) HA :: 4.506(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.217(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 M 0.13 H 0.11 Q 0.11 D 0.09 K 0.09 E 0.07 F 0.05 Y 0.05 N 0.04 A 0.03 S 0.02 C Shift Assignments>> C :: 175.176(D) CA :: 55.700(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 :: 8.334(D) HA :: 4.195(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 :: 122.083(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 H 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.532(D) CA :: 52.829(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 :: 8.356(D) HA :: 4.626(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 :: 119.635(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 E 0.12 S 0.1 K 0.1 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.154(D) CA :: 57.893(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.141(D) HA :: 4.537(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.011(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E137 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.V40 1.V40 H Shift Assignments>> H :: 8.123(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 :: 123.953(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.23 T 0.2 P 0.2 I 0.16 S 0.14 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.782(D) CA :: 62.907(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 :: 4.332(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.E139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.16 M 0.13 H 0.11 D 0.11 Q 0.1 K 0.08 E 0.06 F 0.05 Y 0.05 N 0.04 A 0.03 S 0.02 HN Overlap>> 1.Q79 1.Q79 1.E104 1.E104 C Shift Assignments>> C :: 175.741(D) CA :: 55.569(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 :: 8.475(D) HA :: 4.319(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 :: 120.579(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.23 P 0.17 D 0.09 L 0.04 M 0.03 H 0.02 Q 0.01 K 0.01 C Shift Assignments>> C :: 173.877(D) CA :: 51.540(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.538(D) HA :: 4.338(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.916(D) Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 140 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 135 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 140 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 270 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 280 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 134 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 171.906(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.0857e-02 1.M1 CA = 54.961(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.0638e-01 1.M1 HA = 4.141(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.7520e-01 1.D2 C = 174.633(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.1263e-01 1.D2 CA = 52.708(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.2889e-01 1.D2 H = 9.002(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3283e-01 1.D2 HA = 4.803(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0565e-01 1.D2 N = 122.939(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5318e-01 1.V3 C = 175.757(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.4252e-01 1.V3 CA = 62.499(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9749e-01 1.V3 H = 8.341(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3932e-01 1.V3 HA = 4.037(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.9194e-01 1.V3 N = 121.482(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3995e-01 1.F4 C = 175.721(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.7977e-01 1.F4 CA = 57.873(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3580e-01 1.F4 H = 8.377(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8116e-01 1.F4 HA = 4.604(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.6362e-01 1.F4 N = 124.107(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.8164e-01 1.M5 C = 175.863(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.7944e-01 1.M5 CA = 55.205(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.8487e-01 1.M5 H = 8.258(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.9734e-01 1.M5 HA = 4.416(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.9003e-01 1.M5 N = 122.727(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.6012e-01 1.K6 C = 177.160(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.9486e-01 1.K6 CA = 56.904(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.8332e-01 1.K6 H = 8.346(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9486e-01 1.K6 HA = 4.207(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.8615e-01 1.K6 N = 123.094(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8770e-01 1.G7 C = 174.212(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5565e-01 1.G7 CA = 45.294(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6667e-01 1.G7 H = 8.492(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0318e-01 1.G7 HA2 = 3.940(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3538e-01 1.G7 HA3 = 3.940(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1391e-01 1.G7 N = 110.178(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9556e-01 1.L8 C = 177.716(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.1387e-01 1.L8 CA = 55.123(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1550e-01 1.L8 H = 8.140(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8988e-01 1.L8 HA = 4.388(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8496e-01 1.L8 N = 121.739(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7525e-01 1.S9 C = 174.738(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4530e-01 1.S9 CA = 58.352(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5890e-01 1.S9 H = 8.393(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4811e-01 1.S9 HA = 4.414(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.6894e-01 1.S9 N = 116.958(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4726e-01 1.K10 C = 176.764(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5056e-01 1.K10 CA = 56.548(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5501e-01 1.K10 H = 8.473(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.3716e-01 1.K10 HA = 4.352(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5216e-01 1.K10 N = 123.840(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5927e-01 1.A11 C = 178.137(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5214e-01 1.A11 CA = 52.804(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6525e-01 1.A11 H = 8.337(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1939e-01 1.A11 HA = 4.246(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.7462e-01 1.A11 N = 124.899(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3731e-01 1.K12 C = 176.880(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.0448e-01 1.K12 CA = 56.467(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2623e-01 1.K12 H = 8.366(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6927e-01 1.K12 HA = 4.268(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9637e-01 1.K12 N = 120.829(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5325e-01 1.E13 C = 176.710(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.3461e-01 1.E13 CA = 56.179(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8511e-01 1.E13 H = 8.430(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6541e-01 1.E13 N = 121.567(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9659e-01 1.G14 C = 174.109(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9884e-01 1.G14 CA = 45.293(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6607e-01 1.G14 H = 8.515(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7594e-01 1.G14 N = 110.346(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6133e-01 1.V15 C = 176.725(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.6085e-01 1.V15 CA = 62.811(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1064e-01 1.V15 H = 8.051(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2130e-01 1.V15 HA = 4.073(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.4013e-01 1.V15 N = 120.354(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6255e-01 1.V16 C = 176.282(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2752e-01 1.V16 CA = 62.699(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4175e-01 1.V16 H = 8.350(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2864e-01 1.V16 HA = 4.043(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.9992e-01 1.V16 N = 125.345(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5434e-01 1.A17 C = 178.005(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0099e-01 1.A17 CA = 52.768(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5097e-01 1.A17 H = 8.499(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1825e-01 1.A17 HA = 4.243(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6918e-01 1.A17 N = 128.200(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6033e-01 1.A18 C = 178.080(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.7318e-01 1.A18 CA = 52.793(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6088e-01 1.A18 H = 8.355(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.9615e-01 1.A18 HA = 4.223(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3298e-01 1.A18 N = 123.482(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4325e-01 1.A19 C = 178.273(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0241e-01 1.A19 CA = 52.896(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0192e-01 1.A19 H = 8.296(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7288e-01 1.A19 HA = 4.269(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8368e-01 1.A19 N = 122.951(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3718e-01 1.E20 C = 176.460(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.3347e-01 1.E20 CA = 56.047(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4246e-01 1.E20 H = 8.297(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5540e-01 1.E20 N = 119.461(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2828e-01 1.K21 C = 177.130(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.0646e-01 1.K21 CA = 56.706(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1169e-01 1.K21 H = 8.383(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4771e-01 1.K21 HA = 4.347(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6108e-01 1.K21 N = 122.551(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9052e-01 1.T22 C = 174.728(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.1493e-01 1.T22 CA = 62.149(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7813e-01 1.T22 H = 8.222(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7684e-01 1.T22 HA = 4.300(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3888e-01 1.T22 N = 115.646(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6205e-01 1.K23 C = 176.806(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3385e-01 1.K23 CA = 56.781(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3877e-01 1.K23 H = 8.468(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4313e-01 1.K23 HA = 4.284(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.7462e-01 1.K23 N = 123.975(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3783e-01 1.Q24 C = 176.675(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.5152e-01 1.Q24 CA = 56.179(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.5503e-01 1.Q24 H = 8.515(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1707e-01 1.Q24 HA = 4.302(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4202e-01 1.Q24 N = 121.905(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.7567e-01 1.G25 C = 174.317(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1206e-01 1.G25 CA = 45.338(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9285e-01 1.G25 H = 8.511(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8066e-01 1.G25 HA2 = 3.999(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3753e-01 1.G25 HA3 = 3.999(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8903e-01 1.G25 N = 110.548(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2052e-01 1.V26 C = 176.407(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.7872e-01 1.V26 CA = 62.592(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7155e-01 1.V26 H = 8.092(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6759e-01 1.V26 HA = 4.083(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.5363e-01 1.V26 N = 120.024(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0583e-01 1.A27 C = 178.102(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6505e-01 1.A27 CA = 52.777(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5454e-01 1.A27 H = 8.483(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3716e-01 1.A27 HA = 4.293(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4021e-01 1.A27 N = 127.538(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2362e-01 1.E28 C = 176.168(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1885e-01 1.E28 CA = 55.926(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0478e-01 1.E28 H = 8.388(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2169e-01 1.E28 HA = 4.300(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0294e-01 1.E28 N = 120.081(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6560e-01 1.A29 C = 177.696(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8352e-01 1.A29 CA = 52.616(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.9128e-01 1.A29 H = 8.380(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01 1.A29 HA = 4.262(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.9637e-01 1.A29 N = 125.375(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4456e-01 1.A30 C = 178.543(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0618e-01 1.A30 CA = 52.809(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6724e-01 1.A30 H = 8.353(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.9872e-01 1.A30 HA = 4.290(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4564e-01 1.A30 N = 123.479(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4392e-01 1.G31 C = 174.296(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.2074e-01 1.G31 CA = 45.318(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8095e-01 1.G31 H = 8.403(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1058e-01 1.G31 HA2 = 3.934(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.2249e-01 1.G31 HA3 = 3.934(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.2678e-01 1.G31 N = 108.009(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6778e-01 1.K32 C = 177.101(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1770e-01 1.K32 CA = 56.305(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6938e-01 1.K32 H = 8.230(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4685e-01 1.K32 HA = 4.405(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.5898e-01 1.K32 N = 120.824(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5220e-01 1.T33 C = 174.613(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.6692e-01 1.T33 CA = 62.029(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4121e-01 1.T33 H = 8.264(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6912e-01 1.T33 HA = 4.310(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.5466e-01 1.T33 N = 115.748(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.4495e-01 1.K34 C = 176.515(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5016e-01 1.K34 CA = 56.474(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2870e-01 1.K34 H = 8.516(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8690e-01 1.K34 N = 124.200(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0341e-01 1.E35 C = 176.519(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5715e-01 1.E35 CA = 55.964(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1647e-01 1.E35 H = 8.457(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2957e-01 1.E35 HA = 4.340(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2625e-01 1.E35 N = 121.786(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4845e-01 1.G36 C = 173.985(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5122e-01 1.G36 CA = 45.214(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1916e-01 1.G36 H = 8.513(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7830e-01 1.G36 HA2 = 3.955(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6766e-01 1.G36 HA3 = 3.955(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8183e-01 1.G36 N = 110.467(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3684e-01 1.V37 C = 176.066(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1441e-01 1.V37 CA = 62.377(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6848e-01 1.V37 H = 8.051(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2130e-01 1.V37 HA = 4.070(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.3609e-01 1.V37 N = 119.693(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4994e-01 1.L38 C = 176.713(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.8874e-01 1.L38 CA = 54.933(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.4705e-01 1.L38 H = 8.362(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3907e-01 1.L38 HA = 4.341(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6436e-01 1.L38 N = 126.002(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.8821e-01 1.Y39 C = 175.631(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.0759e-01 1.Y39 CA = 57.936(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.3839e-01 1.Y39 H = 8.349(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.6831e-01 1.Y39 HA = 4.574(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.2034e-01 1.Y39 N = 122.734(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.9809e-01 1.V40 C = 176.162(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7544e-01 1.V40 CA = 62.188(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1590e-01 1.V40 H = 8.141(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2401e-01 1.V40 HA = 4.052(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.1193e-01 1.V40 N = 123.862(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4880e-01 1.G41 C = 174.006(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4233e-01 1.G41 CA = 45.143(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7723e-01 1.G41 H = 8.090(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1196e-01 1.G41 HA2 = 3.930(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.1391e-01 1.G41 HA3 = 3.930(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3538e-01 1.G41 N = 112.300(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9677e-01 1.S42 C = 174.969(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3921e-01 1.S42 CA = 58.373(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6687e-01 1.S42 H = 8.323(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4190e-01 1.S42 HA = 4.441(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.2233e-01 1.S42 N = 115.667(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6175e-01 1.K43 C = 176.988(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6187e-01 1.K43 CA = 56.516(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4361e-01 1.K43 H = 8.577(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1893e-01 1.K43 HA = 4.404(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6071e-01 1.K43 N = 123.635(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9292e-01 1.T44 C = 174.565(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.8867e-01 1.T44 CA = 62.058(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5013e-01 1.T44 H = 8.204(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5370e-01 1.T44 HA = 4.295(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3103e-01 1.T44 N = 115.635(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6390e-01 1.K45 C = 176.519(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5176e-01 1.K45 CA = 56.454(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2163e-01 1.K45 H = 8.471(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.3955e-01 1.K45 HA = 4.296(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.5288e-01 1.K45 N = 124.248(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9628e-01 1.E46 C = 176.520(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5756e-01 1.E46 CA = 55.966(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1708e-01 1.E46 H = 8.465(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1901e-01 1.E46 HA = 4.341(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2435e-01 1.E46 N = 121.923(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1880e-01 1.G47 C = 173.798(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6945e-01 1.G47 CA = 45.145(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7841e-01 1.G47 H = 8.514(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7712e-01 1.G47 HA2 = 3.910(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7118e-01 1.G47 HA3 = 3.910(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7844e-01 1.G47 N = 110.501(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2998e-01 1.V48 C = 176.197(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.6137e-01 1.V48 CA = 62.275(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4008e-01 1.V48 H = 8.067(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3926e-01 1.V48 HA = 4.092(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.6582e-01 1.V48 N = 120.014(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0412e-01 1.V49 C = 175.995(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.4354e-01 1.V49 CA = 62.261(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3618e-01 1.V49 H = 8.383(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8960e-01 1.V49 HA = 4.060(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.2265e-01 1.V49 N = 125.385(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4978e-01 1.H50 C = 174.714(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.8556e-01 1.H50 CA = 55.102(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.3931e-01 1.H50 H = 8.801(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.0937e-01 1.H50 HA = 4.737(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.6773e-01 1.H50 N = 123.566(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.3255e-01 1.G51 C = 173.764(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5504e-01 1.G51 CA = 45.045(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1995e-01 1.G51 H = 8.558(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2576e-01 1.G51 HA2 = 4.001(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3323e-01 1.G51 HA3 = 4.001(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8487e-01 1.G51 N = 110.793(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7168e-01 1.V52 C = 176.038(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.2587e-01 1.V52 CA = 61.995(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6259e-01 1.V52 H = 8.197(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8960e-01 1.V52 HA = 4.152(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.4776e-01 1.V52 N = 119.829(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.7276e-01 1.A53 C = 177.933(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2780e-01 1.A53 CA = 52.428(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1915e-01 1.A53 H = 8.586(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2001e-01 1.A53 HA = 4.409(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.3488e-01 1.A53 N = 128.563(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3194e-01 1.T54 C = 174.664(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.4383e-01 1.T54 CA = 61.847(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8549e-01 1.T54 H = 8.267(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6526e-01 1.T54 HA = 4.320(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.7054e-01 1.T54 N = 115.029(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.3440e-01 1.V55 C = 175.971(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.5344e-01 1.V55 CA = 62.515(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9303e-01 1.V55 H = 8.327(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5596e-01 1.V55 HA = 4.081(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.5093e-01 1.V55 N = 123.318(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3142e-01 1.A56 C = 177.923(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.3153e-01 1.A56 CA = 52.616(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.9128e-01 1.A56 H = 8.504(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1239e-01 1.A56 HA = 4.281(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6193e-01 1.A56 N = 127.981(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.7957e-01 1.E57 C = 176.419(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.1710e-01 1.E57 CA = 55.909(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9960e-01 1.E57 H = 8.375(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3920e-01 1.E57 HA = 4.310(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.8365e-01 1.E57 N = 120.285(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1191e-01 1.K58 C = 177.037(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4265e-01 1.K58 CA = 56.703(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1061e-01 1.K58 H = 8.504(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.0074e-01 1.K58 HA = 4.343(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6823e-01 1.K58 N = 122.955(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1334e-01 1.T59 C = 174.596(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.7462e-01 1.T59 CA = 62.186(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8953e-01 1.T59 H = 8.247(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9099e-01 1.T59 HA = 4.283(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.1231e-01 1.T59 N = 115.983(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0565e-01 1.K60 C = 176.651(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9561e-01 1.K60 CA = 56.588(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.6930e-01 1.K60 H = 8.436(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8181e-01 1.K60 HA = 4.292(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6012e-01 1.K60 N = 123.922(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4618e-01 1.E61 C = 175.973(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.4552e-01 1.E61 CA = 55.941(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0938e-01 1.E61 H = 8.413(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.8812e-01 1.E61 N = 121.778(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5019e-01 1.Q62 C = 175.938(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.4871e-01 1.Q62 CA = 55.804(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.2039e-01 1.Q62 H = 8.505(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2906e-01 1.Q62 HA = 4.343(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6823e-01 1.Q62 N = 122.370(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.9089e-01 1.V63 C = 176.374(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.9148e-01 1.V63 CA = 62.346(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5984e-01 1.V63 H = 8.386(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8607e-01 1.V63 HA = 4.197(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.9037e-01 1.V63 N = 122.206(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1436e-01 1.T64 C = 174.052(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.8157e-01 1.T64 CA = 61.748(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5539e-01 1.T64 H = 8.376(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2637e-01 1.T64 HA = 4.363(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.3985e-01 1.T64 N = 118.359(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3609e-01 1.N65 C = 175.296(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.8841e-01 1.N65 CA = 53.090(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1083e-01 1.N65 H = 8.604(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7518e-01 1.N65 HA = 4.781(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.5783e-01 1.N65 N = 121.975(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.4990e-01 1.V66 C = 176.915(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9551e-01 1.V66 CA = 62.662(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5204e-01 1.V66 H = 8.327(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5596e-01 1.V66 HA = 4.123(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.0804e-01 1.V66 N = 120.956(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6767e-01 1.G67 C = 174.700(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5886e-01 1.G67 CA = 45.325(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8512e-01 1.G67 H = 8.632(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4221e-01 1.G67 HA2 = 3.971(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9784e-01 1.G67 HA3 = 3.971(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4783e-01 1.G67 N = 112.847(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1169e-01 1.G68 C = 173.763(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5461e-01 1.G68 CA = 45.005(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9682e-01 1.G68 H = 8.303(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6687e-01 1.G68 HA2 = 3.939(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3323e-01 1.G68 HA3 = 3.939(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1605e-01 1.G68 N = 108.923(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4694e-01 1.A69 C = 177.726(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9476e-01 1.A69 CA = 52.299(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7102e-01 1.A69 H = 8.240(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 1.A69 HA = 4.347(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.4326e-01 1.A69 N = 123.879(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5454e-01 1.V70 C = 176.410(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.7756e-01 1.V70 CA = 62.429(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8298e-01 1.V70 H = 8.307(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.7976e-01 1.V70 HA = 4.067(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.3205e-01 1.V70 N = 120.772(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3540e-01 1.V71 C = 176.353(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.9965e-01 1.V71 CA = 62.127(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9900e-01 1.V71 H = 8.486(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6988e-01 1.V71 HA = 4.216(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.6424e-01 1.V71 N = 125.772(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.0760e-01 1.T72 C = 174.947(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.1712e-01 1.T72 CA = 61.914(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0595e-01 1.T72 H = 8.398(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.9885e-01 1.T72 HA = 4.364(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.4148e-01 1.T72 N = 118.970(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5484e-01 1.G73 C = 174.046(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2541e-01 1.G73 CA = 45.237(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3280e-01 1.G73 H = 8.511(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8066e-01 1.G73 HA2 = 3.987(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6335e-01 1.G73 HA3 = 3.987(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.1410e-01 1.G73 N = 111.497(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3686e-01 1.V74 C = 176.641(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.9101e-01 1.V74 CA = 62.326(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5427e-01 1.V74 H = 8.167(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5434e-01 1.V74 HA = 4.184(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.9175e-01 1.V74 N = 119.726(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5546e-01 1.T75 C = 174.139(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.1977e-01 1.T75 CA = 61.996(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3108e-01 1.T75 H = 8.385(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.1509e-01 1.T75 HA = 4.311(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.5624e-01 1.T75 N = 119.301(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1390e-01 1.A76 C = 177.673(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7491e-01 1.A76 CA = 52.470(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3507e-01 1.A76 H = 8.458(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6720e-01 1.A76 HA = 4.338(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.5929e-01 1.A76 N = 127.631(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1379e-01 1.V77 C = 176.113(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9527e-01 1.V77 CA = 62.322(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5316e-01 1.V77 H = 8.232(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3102e-01 1.V77 HA = 4.039(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.9460e-01 1.V77 N = 120.362(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6394e-01 1.A78 C = 177.755(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9438e-01 1.A78 CA = 52.523(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5533e-01 1.A78 H = 8.492(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2649e-01 1.A78 HA = 4.284(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.5650e-01 1.A78 N = 128.375(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.4612e-01 1.Q79 C = 176.083(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.0733e-01 1.Q79 CA = 55.702(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.8503e-01 1.Q79 H = 8.475(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.6559e-01 1.Q79 HA = 4.288(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6737e-01 1.Q79 N = 120.570(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.5018e-01 1.K80 C = 176.760(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5216e-01 1.K80 CA = 56.429(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1280e-01 1.K80 H = 8.508(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9611e-01 1.K80 HA = 4.352(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5216e-01 1.K80 N = 123.315(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4798e-01 1.T81 C = 174.444(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.5650e-01 1.T81 CA = 61.993(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3016e-01 1.T81 H = 8.339(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.7314e-01 1.T81 HA = 4.333(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.9133e-01 1.T81 N = 116.978(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4291e-01 1.V82 C = 176.159(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7665e-01 1.V82 CA = 62.329(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5511e-01 1.V82 H = 8.389(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8253e-01 1.V82 HA = 4.115(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.9711e-01 1.V82 N = 123.570(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9248e-01 1.E83 C = 176.566(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7611e-01 1.E83 CA = 55.868(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8722e-01 1.E83 H = 8.588(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6190e-01 1.E83 HA = 4.363(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.8285e-01 1.E83 N = 124.881(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2626e-01 1.G84 C = 174.062(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1866e-01 1.G84 CA = 45.178(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9787e-01 1.G84 H = 8.584(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9597e-01 1.G84 HA2 = 3.956(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6982e-01 1.G84 HA3 = 3.956(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.7970e-01 1.G84 N = 110.928(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4513e-01 1.A85 C = 178.596(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8777e-01 1.A85 CA = 52.926(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1393e-01 1.A85 H = 8.379(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6545e-01 1.A85 HA = 4.305(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.1854e-01 1.A85 N = 124.107(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0434e-01 1.G86 C = 174.356(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9601e-01 1.G86 CA = 45.258(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4526e-01 1.G86 H = 8.584(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9597e-01 1.G86 HA2 = 3.971(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9784e-01 1.G86 HA3 = 3.971(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4783e-01 1.G86 N = 108.397(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4220e-01 1.S87 C = 174.748(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4068e-01 1.S87 CA = 58.401(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7753e-01 1.S87 H = 8.211(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0690e-01 1.S87 HA = 4.460(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.6012e-01 1.S87 N = 115.837(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9985e-01 1.I88 C = 176.358(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.9133e-01 1.I88 CA = 61.313(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1176e-01 1.I88 H = 8.262(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7888e-01 1.I88 HA = 4.161(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.7293e-01 1.I88 N = 122.945(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2862e-01 1.A89 C = 177.659(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6967e-01 1.A89 CA = 52.654(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0610e-01 1.A89 H = 8.422(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1138e-01 1.A89 HA = 4.249(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8006e-01 1.A89 N = 128.230(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5782e-01 1.A90 C = 177.809(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7416e-01 1.A90 CA = 52.511(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5073e-01 1.A90 H = 8.285(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8734e-01 1.A90 HA = 4.247(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.7643e-01 1.A90 N = 123.479(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4392e-01 1.A91 C = 178.212(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.2463e-01 1.A91 CA = 52.632(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.9751e-01 1.A91 H = 8.362(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8716e-01 1.A91 HA = 4.353(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.3260e-01 1.A91 N = 123.547(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2865e-01 1.T92 C = 175.233(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.9377e-01 1.T92 CA = 62.051(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4797e-01 1.T92 H = 8.168(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0755e-01 1.T92 HA = 4.297(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3417e-01 1.T92 N = 112.861(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9007e-01 1.G93 C = 173.748(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4826e-01 1.G93 CA = 45.159(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8666e-01 1.G93 H = 8.376(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4358e-01 1.G93 HA2 = 3.913(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7757e-01 1.G93 HA3 = 3.913(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7197e-01 1.G93 N = 110.781(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7405e-01 1.F94 C = 175.651(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.0759e-01 1.F94 CA = 57.876(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3673e-01 1.F94 H = 8.157(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7799e-01 1.F94 HA = 4.601(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.5942e-01 1.F94 N = 120.435(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.9714e-01 1.V95 C = 175.678(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.7565e-01 1.V95 CA = 62.123(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9789e-01 1.V95 H = 8.100(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7673e-01 1.V95 HA = 4.000(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.4322e-01 1.V95 N = 123.746(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6596e-01 1.K96 C = 176.664(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9043e-01 1.K96 CA = 56.489(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3402e-01 1.K96 H = 8.436(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8181e-01 1.K96 HA = 4.208(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.8794e-01 1.K96 N = 126.255(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.6739e-01 1.K97 C = 176.563(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6929e-01 1.K97 CA = 56.630(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8435e-01 1.K97 H = 8.470(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4074e-01 1.K97 HA = 4.273(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9456e-01 1.K97 N = 123.170(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7389e-01 1.D98 C = 175.120(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.6452e-01 1.D98 CA = 53.037(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1548e-01 1.D98 H = 8.589(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.3049e-01 1.D98 HA = 4.667(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.0985e-01 1.D98 N = 119.944(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5488e-01 1.Q99 C = 175.928(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.4469e-01 1.Q99 CA = 55.864(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.4147e-01 1.Q99 H = 8.449(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9792e-01 1.Q99 HA = 4.316(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1674e-01 1.Q99 N = 121.122(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3218e-01 1.L100 C = 177.964(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2278e-01 1.L100 CA = 55.337(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9430e-01 1.L100 H = 8.310(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0205e-01 1.L100 HA = 4.339(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6775e-01 1.L100 N = 123.247(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2211e-01 1.G101 C = 174.241(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4356e-01 1.G101 CA = 45.258(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4526e-01 1.G101 H = 8.463(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3787e-01 1.G101 HA2 = 3.940(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3538e-01 1.G101 HA3 = 3.940(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1391e-01 1.G101 N = 109.725(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8866e-01 1.K102 C = 176.617(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9082e-01 1.K102 CA = 56.405(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0435e-01 1.K102 H = 8.262(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0448e-01 1.K102 HA = 4.302(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4202e-01 1.K102 N = 120.811(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4945e-01 1.N103 C = 175.361(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5945e-01 1.N103 CA = 53.377(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.3091e-01 1.N103 H = 8.630(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4529e-01 1.N103 HA = 4.677(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.8449e-01 1.N103 N = 119.435(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0028e-01 1.E104 C = 176.103(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.9407e-01 1.E104 CA = 55.887(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9294e-01 1.E104 H = 8.397(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0959e-01 1.E104 HA = 4.378(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5489e-01 1.E104 N = 120.614(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8716e-01 1.E105 C = 176.519(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5715e-01 1.E105 CA = 56.092(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5683e-01 1.E105 H = 8.430(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6541e-01 1.E105 N = 121.017(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2057e-01 1.G106 C = 173.385(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9642e-01 1.G106 CA = 44.977(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8074e-01 1.G106 H = 8.480(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G106 HA2 = 3.930(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.1391e-01 1.G106 HA3 = 3.930(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3538e-01 1.G106 N = 110.203(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9046e-01 1.A107 H = 8.191(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8803e-01 1.A107 N = 124.927(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3167e-01 1.P108 C = 177.104(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.1465e-01 1.P108 CA = 63.157(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0938e-01 1.P108 HA = 4.423(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.4444e-01 1.Q109 C = 176.048(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.9312e-01 1.Q109 CA = 55.758(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0436e-01 1.Q109 H = 8.603(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1624e-01 1.Q109 HA = 4.287(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6918e-01 1.Q109 N = 120.814(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9744e-01 1.E110 C = 176.514(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5514e-01 1.E110 CA = 55.917(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0203e-01 1.E110 H = 8.499(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7454e-01 1.E110 HA = 4.366(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.7723e-01 1.E110 N = 121.645(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7935e-01 1.G111 C = 174.089(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0726e-01 1.G111 CA = 45.356(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9643e-01 1.G111 H = 8.515(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7594e-01 1.G111 HA2 = 3.939(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3323e-01 1.G111 HA3 = 3.939(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1605e-01 1.G111 N = 110.217(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8760e-01 1.I112 C = 176.549(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.1581e-01 1.I112 CA = 61.282(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.0259e-01 1.I112 H = 8.039(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2303e-01 1.I112 HA = 4.161(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.7293e-01 1.I112 N = 119.955(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2511e-01 1.L113 C = 177.366(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4939e-01 1.L113 CA = 55.258(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6505e-01 1.L113 H = 8.382(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1510e-01 1.L113 HA = 4.346(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.5588e-01 1.L113 N = 125.783(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1447e-01 1.E114 C = 175.574(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.0630e-01 1.E114 CA = 55.739(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4937e-01 1.E114 H = 8.341(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8513e-01 1.E114 HA = 4.358(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.9223e-01 1.E114 N = 120.686(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9633e-01 1.D115 C = 174.650(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.1731e-01 1.D115 CA = 52.733(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.3503e-01 1.D115 H = 8.455(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0259e-01 1.D115 HA = 4.700(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.3103e-01 1.D115 N = 119.428(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5156e-01 1.M116 H = 8.258(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.9734e-01 1.M116 N = 121.870(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.1806e-01 1.P117 C = 176.731(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8996e-01 1.P117 CA = 62.891(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7272e-01 1.P117 HA = 4.447(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.8675e-01 1.V118 C = 175.773(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.3582e-01 1.V118 CA = 62.287(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4341e-01 1.V118 H = 8.338(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4289e-01 1.V118 HA = 4.037(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.9194e-01 1.V118 N = 120.682(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1965e-01 1.D119 H = 8.690(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1236e-01 1.D119 N = 123.493(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.6141e-01 1.P120 C = 176.834(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.5564e-01 1.P120 CA = 63.596(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6108e-01 1.P120 HA = 4.358(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.9872e-01 1.D121 C = 174.974(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.1515e-01 1.D121 CA = 53.033(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1435e-01 1.D121 H = 8.388(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9302e-01 1.D121 HA = 4.673(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9535e-01 1.D121 N = 117.584(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.2702e-01 1.N122 C = 175.373(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5411e-01 1.N122 CA = 53.431(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.5377e-01 1.N122 H = 8.265(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.0524e-01 1.N122 HA = 4.702(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.2917e-01 1.N122 N = 118.874(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8891e-01 1.E123 C = 175.930(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2977e-01 1.E123 CA = 56.145(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7398e-01 1.E123 H = 8.232(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6808e-01 1.E123 HA = 4.300(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0294e-01 1.E123 N = 120.362(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2947e-01 1.A124 C = 177.492(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0731e-01 1.A124 CA = 52.817(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7042e-01 1.A124 H = 8.290(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8076e-01 1.A124 HA = 4.224(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3479e-01 1.A124 N = 124.120(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0150e-01 1.Y125 C = 175.490(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.6393e-01 1.Y125 CA = 57.831(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.0518e-01 1.Y125 H = 8.020(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8110e-01 1.Y125 HA = 4.508(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.2754e-01 1.Y125 N = 118.644(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.5512e-01 1.E126 C = 175.153(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.7858e-01 1.E126 CA = 55.056(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.7870e-01 1.E126 H = 8.015(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9341e-01 1.E126 HA = 4.312(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.7980e-01 1.E126 N = 122.182(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6394e-01 1.M127 H = 8.306(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.3889e-01 1.M127 N = 122.799(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.4796e-01 1.P128 C = 177.147(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.9262e-01 1.P128 CA = 63.567(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7610e-01 1.P128 HA = 4.355(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.9153e-01 1.S129 C = 174.969(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3921e-01 1.S129 CA = 58.574(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4377e-01 1.S129 H = 8.402(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3618e-01 1.S129 HA = 4.369(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.8140e-01 1.S129 N = 115.246(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6895e-01 1.E130 C = 176.115(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.9862e-01 1.E130 CA = 55.907(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9899e-01 1.E130 H = 8.398(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0824e-01 1.E130 HA = 4.386(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4011e-01 1.E130 N = 121.918(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1988e-01 1.E131 C = 176.528(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6078e-01 1.E131 CA = 56.233(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0300e-01 1.E131 H = 8.334(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9459e-01 1.E131 HA = 4.286(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3003e-01 1.E131 N = 120.682(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9725e-01 1.G132 C = 174.051(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2330e-01 1.G132 CA = 45.266(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5002e-01 1.G132 H = 8.419(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9109e-01 1.G132 HA2 = 3.879(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0572e-01 1.G132 HA3 = 3.879(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.5474e-01 1.G132 N = 109.826(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6785e-01 1.Y133 C = 175.943(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.8496e-01 1.Y133 CA = 58.192(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8029e-01 1.Y133 H = 8.079(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.4130e-01 1.Y133 HA = 4.506(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.2476e-01 1.Y133 N = 120.217(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.4249e-01 1.Q134 C = 175.176(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.6088e-01 1.Q134 CA = 55.700(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.8434e-01 1.Q134 H = 8.334(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4679e-01 1.Q134 HA = 4.195(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6465e-01 1.Q134 N = 122.083(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.4241e-01 1.D135 C = 174.532(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.8578e-01 1.D135 CA = 52.829(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.5927e-01 1.D135 H = 8.356(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3679e-01 1.D135 HA = 4.626(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.1043e-01 1.D135 N = 119.635(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9259e-01 1.Y136 C = 175.154(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.0162e-01 1.Y136 CA = 57.893(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2477e-01 1.Y136 H = 8.141(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.0630e-01 1.Y136 HA = 4.537(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.6810e-01 1.Y136 N = 121.011(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.0694e-01 1.E137 H = 8.123(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2570e-01 1.E137 N = 123.953(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4548e-01 1.P138 C = 176.782(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8309e-01 1.P138 CA = 62.907(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8079e-01 1.P138 HA = 4.332(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.3674e-01 1.E139 C = 175.741(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.6261e-01 1.E139 CA = 55.569(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0214e-01 1.E139 H = 8.475(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0587e-01 1.E139 HA = 4.319(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.6635e-01 1.E139 N = 120.579(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7914e-01 1.A140 C = 173.877(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.9737e-02 1.A140 CA = 51.540(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.1904e-01 1.A140 H = 8.538(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7321e-01 1.A140 HA = 4.338(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.5929e-01 1.A140 N = 126.916(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.9776e-01