Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.25 D 0.23 Y 0.18 I 0.11 L 0.09 N 0.09 K 0.02 C Shift Assignments>> C :: 167.358(S) CA :: 40.413(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.567(D) CA :: 55.393(D) CB :: 61.192(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.517(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 :: 115.361(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 R 0.16 K 0.16 P 0.07 Q 0.05 H 0.04 C Shift Assignments>> C :: 171.567(D) CA :: 52.524(D) CB :: 25.832(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 :: 8.610(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.550(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 R 0.2 Q 0.18 M 0.12 K 0.1 E 0.09 P 0.01 C Shift Assignments>> C :: 173.112(D) CA :: 52.740(D) CB :: 29.946(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 :: 8.313(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 :: 121.996(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.17 G 0.01 C Shift Assignments>> C :: 174.558(D) CA :: 49.755(D) CB :: 16.176(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) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.182(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.76 M 0.09 E 0.03 Y 0.02 F 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 172.580(D) CA :: 50.519(D) CB :: 36.374(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 :: 8.134(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.693(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 M 0.19 E 0.05 Q 0.03 K 0.03 P 0.02 Y 0.02 F 0.01 C Shift Assignments>> C :: 172.344(D) CA :: 50.732(D) CB :: 35.795(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 :: 8.147(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 :: 119.427(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 Q 0.23 R 0.2 E 0.12 M 0.1 K 0.03 L 0.01 C Shift Assignments>> C :: 173.772(D) CA :: 53.734(D) CB :: 29.565(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.995(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 :: 120.635(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 E 0.13 M 0.11 Y 0.07 F 0.05 D 0.03 K 0.02 C Shift Assignments>> C :: 173.966(D) CA :: 53.274(D) CB :: 36.773(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 :: 7.959(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 :: 120.038(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 P 0.28 M 0.2 Q 0.04 G 0.03 K 0.03 E 0.01 H 0.01 Y 0.01 C Shift Assignments>> C :: 172.957(D) CA :: 49.598(D) CB :: 35.252(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 :: 8.256(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.553(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.24 E 0.21 H 0.21 R 0.18 M 0.05 K 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 175.691(D) CA :: 56.875(D) CB :: 29.272(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 :: 8.197(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 :: 119.277(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 K 0.44 R 0.05 Q 0.02 H 0.01 I 0.01 HN Overlap>> 1.E29 1.I20 1.E29 1.I20 C Shift Assignments>> C :: 176.567(D) CA :: 56.241(D) CB :: 24.722(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 :: 8.037(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 :: 119.311(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 K 0.42 R 0.03 Q 0.01 H 0.01 C Shift Assignments>> C :: 174.647(D) CA :: 55.847(D) CB :: 24.531(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 :: 8.335(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 :: 121.093(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.39 K 0.34 R 0.14 Q 0.05 H 0.03 I 0.01 E 0.01 HN Overlap>> 1.L49 1.L49 C Shift Assignments>> C :: 175.679(D) CA :: 55.857(D) CB :: 25.503(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 :: 8.429(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 :: 118.767(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.32 N 0.18 E 0.14 Q 0.13 K 0.11 Y 0.03 H 0.02 F 0.01 R 0.01 C Shift Assignments>> C :: 174.375(D) CA :: 53.165(D) CB :: 35.324(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 :: 8.069(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 :: 118.260(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.45 C Shift Assignments>> C :: 175.482(D) CA :: 52.556(D) CB :: 15.331(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.853(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.734(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 M 0.13 Y 0.12 K 0.09 I 0.07 Q 0.06 F 0.06 C Shift Assignments>> C :: 173.834(D) CA :: 58.139(D) CB :: 35.813(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 :: 8.105(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 :: 117.295(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.33 I 0.16 Y 0.12 M 0.1 K 0.1 Q 0.07 F 0.05 H 0.01 R 0.01 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 175.903(D) CA :: 59.631(D) CB :: 35.496(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 :: 8.072(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 :: 117.691(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.36 L 0.35 R 0.14 Q 0.05 H 0.03 I 0.02 E 0.01 C Shift Assignments>> C :: 176.353(D) CA :: 56.406(D) CB :: 25.476(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 :: 8.258(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 :: 118.314(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 P 0.15 K 0.09 E 0.08 Y 0.07 Q 0.06 M 0.05 F 0.02 R 0.01 H 0.01 HN Overlap>> 1.E29 1.E29 1.E12 1.E12 C Shift Assignments>> C :: 174.810(D) CA :: 62.248(D) CB :: 34.608(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 :: 8.011(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 :: 119.339(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.22 Y 0.16 F 0.15 L 0.08 I 0.01 C Shift Assignments>> C :: 174.800(D) CA :: 54.654(D) CB :: 39.034(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 :: 8.054(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 :: 118.085(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 K 0.22 R 0.09 P 0.03 Q 0.03 H 0.02 C Shift Assignments>> C :: 171.128(D) CA :: 52.503(D) CB :: 25.290(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 :: 7.249(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 :: 110.686(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.98 C Shift Assignments>> C :: 175.090(D) CA :: 47.967(D) CB :: 13.598(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.096(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.353(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.6 P 0.14 E 0.06 R 0.05 K 0.05 H 0.04 Q 0.03 C Shift Assignments>> C :: 175.226(D) CA :: 62.287(D) CB :: 29.571(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) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 M 0.14 P 0.04 E 0.02 G 0.02 Y 0.02 K 0.01 Q 0.01 F 0.01 C Shift Assignments>> C :: 173.303(D) CA :: 49.705(D) CB :: 35.914(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 :: 8.654(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 :: 112.684(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 D 0.34 L 0.1 F 0.04 Y 0.03 C Shift Assignments>> C :: 173.483(D) CA :: 51.226(D) CB :: 40.348(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.389(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 :: 117.645(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 N 0.14 M 0.03 P 0.01 C Shift Assignments>> C :: 172.835(D) CA :: 48.329(D) CB :: 35.776(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 :: 8.438(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 :: 119.347(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.41 L 0.35 R 0.11 Q 0.04 I 0.02 H 0.02 C Shift Assignments>> C :: 174.884(D) CA :: 56.763(D) CB :: 25.273(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 :: 8.461(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 :: 118.069(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 L 0.44 R 0.03 Q 0.01 I 0.01 H 0.01 HN Overlap>> 1.I20 1.E12 1.I20 1.E12 C Shift Assignments>> C :: 177.410(D) CA :: 56.598(D) CB :: 24.510(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 :: 8.051(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 :: 119.337(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 K 0.24 R 0.2 Q 0.07 H 0.04 E 0.01 I 0.01 C Shift Assignments>> C :: 176.154(D) CA :: 55.094(D) CB :: 25.858(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 :: 8.494(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 :: 120.339(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.16 H 0.13 E 0.13 L 0.13 I 0.12 R 0.08 M 0.01 C Shift Assignments>> C :: 174.791(D) CA :: 57.885(D) CB :: 27.747(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.523(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.271(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 Q 0.22 K 0.14 E 0.08 N 0.08 H 0.03 R 0.02 Y 0.01 C Shift Assignments>> C :: 175.706(D) CA :: 53.083(D) CB :: 34.766(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 :: 8.424(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.635(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.876(D) CA :: 44.252(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.913(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.165(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.3 Y 0.25 I 0.19 F 0.15 M 0.05 K 0.02 C Shift Assignments>> C :: 175.331(D) CA :: 58.763(D) CB :: 36.901(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 :: 7.772(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 :: 120.538(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.34 I 0.16 K 0.15 Q 0.1 M 0.07 R 0.04 E 0.04 Y 0.03 H 0.03 F 0.01 C Shift Assignments>> C :: 174.877(D) CA :: 61.963(D) CB :: 33.949(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 :: 8.212(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 :: 119.131(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.41 K 0.38 R 0.11 Q 0.04 H 0.02 I 0.01 C Shift Assignments>> C :: 175.802(D) CA :: 56.020(D) CB :: 25.266(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 :: 8.126(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 :: 118.876(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 1 C Shift Assignments>> C :: 172.987(D) CA :: 59.722(D) CB :: 60.633(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.915(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 :: 115.470(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 N 0.21 F 0.17 Y 0.16 L 0.13 I 0.01 C Shift Assignments>> C :: 175.157(D) CA :: 54.993(D) CB :: 39.763(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 :: 8.146(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.034(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 Q 0.21 E 0.21 R 0.19 M 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 176.291(D) CA :: 56.644(D) CB :: 29.777(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.921(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 :: 115.840(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 M 0.19 E 0.12 Y 0.04 K 0.04 Q 0.03 F 0.02 D 0.01 C Shift Assignments>> C :: 173.456(D) CA :: 52.352(D) CB :: 36.069(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.914(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 :: 116.065(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 N 0.15 M 0.03 P 0.01 C Shift Assignments>> C :: 169.288(S) CA :: 48.331(D) CB :: 35.827(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.701(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 :: 115.137(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.78 K 0.05 E 0.04 H 0.03 R 0.03 Q 0.02 P 0.02 C Shift Assignments>> C :: 175.924(D) CA :: 62.297(D) CB :: 28.772(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) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.362(D) CA :: 58.103(D) CB :: 59.842(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.069(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 :: 112.737(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 K 0.22 R 0.06 P 0.04 Q 0.02 H 0.01 C Shift Assignments>> C :: 173.388(D) CA :: 52.311(D) CB :: 25.068(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.759(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 :: 120.218(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 1 C Shift Assignments>> C :: 171.573(D) CA :: 60.763(D) CB :: 59.933(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.602(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 :: 115.421(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.37 I 0.01 C Shift Assignments>> C :: 178.169(D) CA :: 52.786(D) CB :: 14.851(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.409(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.894(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 N 0.17 Q 0.15 E 0.12 K 0.11 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 175.093(D) CA :: 52.963(D) CB :: 35.207(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.781(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 :: 118.482(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 N 0.24 F 0.18 Y 0.17 L 0.11 I 0.01 C Shift Assignments>> C :: 175.647(D) CA :: 55.032(D) CB :: 39.439(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 :: 8.321(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 :: 121.358(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 Y 0.2 D 0.19 F 0.19 L 0.07 I 0.02 E 0.01 M 0.01 HN Overlap>> 1.Q14 1.Q14 C Shift Assignments>> C :: 175.632(D) CA :: 55.161(D) CB :: 38.924(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 :: 8.357(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 :: 118.790(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.42 I 0.01 C Shift Assignments>> C :: 178.365(D) CA :: 52.396(D) CB :: 14.881(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.453(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.119(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 K 0.32 R 0.16 Q 0.05 H 0.03 I 0.01 E 0.01 C Shift Assignments>> C :: 175.999(D) CA :: 55.804(D) CB :: 25.591(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.894(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 :: 118.855(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.41 I 0.01 C Shift Assignments>> C :: 176.497(D) CA :: 52.387(D) CB :: 14.670(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.187(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.246(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 E 0.21 H 0.21 R 0.18 M 0.06 K 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 175.946(D) CA :: 56.884(D) CB :: 29.358(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 :: 8.208(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 :: 118.133(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.22 H 0.21 E 0.21 R 0.19 M 0.07 K 0.04 I 0.02 C Shift Assignments>> C :: 176.928(D) CA :: 56.698(D) CB :: 29.615(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.488(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 :: 119.107(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 D 0.26 F 0.16 Y 0.15 L 0.11 I 0.01 C Shift Assignments>> C :: 175.151(D) CA :: 54.734(D) CB :: 39.490(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.703(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 :: 121.263(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 Y 0.18 F 0.15 D 0.11 E 0.07 L 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 174.858(D) CA :: 54.894(D) CB :: 38.033(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 :: 8.490(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 :: 117.067(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 M 0.26 E 0.18 K 0.07 Q 0.07 Y 0.05 F 0.02 H 0.01 HN Overlap>> 1.Y18 1.Y18 C Shift Assignments>> C :: 175.469(D) CA :: 53.274(D) CB :: 35.775(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 :: 8.114(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 :: 117.601(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 M 0.35 C Shift Assignments>> C :: 176.443(D) CA :: 51.418(D) CB :: 15.784(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.932(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 K 0.2 R 0.08 P 0.06 Q 0.02 H 0.02 C Shift Assignments>> C :: 171.340(D) CA :: 52.229(D) CB :: 25.225(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.378(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 :: 114.883(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 A 0.09 M 0.01 C Shift Assignments>> C :: 172.679(D) CA :: 48.193(D) CB :: 14.894(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.965(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.367(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.36 K 0.15 E 0.14 H 0.1 Q 0.1 R 0.09 M 0.01 C Shift Assignments>> C :: 173.762(D) CA :: 60.408(D) CB :: 28.972(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) 1.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 R 0.21 Q 0.18 M 0.14 E 0.11 K 0.06 C Shift Assignments>> C :: 177.225(D) CA :: 53.515(D) CB :: 30.242(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 :: 8.219(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 :: 124.916(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 60 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 181 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 58 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 58 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 Typing: Mistyped 1.G1 C = 167.358(S), Expected = 173.87, Std = 1.8800, ChiSquare = 5.3254e-04 1.G1 CA = 40.413(S), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2931e-04 1.S2 C = 171.567(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.5898e-02 1.S2 CA = 55.393(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0800e-01 1.S2 CB = 61.192(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8042e-02 1.S2 H = 8.517(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8791e-01 1.S2 N = 115.361(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9403e-01 1.H3 C = 171.567(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.1547e-02 1.H3 CA = 52.524(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.3654e-02 1.H3 CB = 25.832(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.3216e-02 1.H3 H = 8.610(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.8636e-01 1.H3 N = 120.550(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.2977e-01 1.M4 C = 173.112(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.4212e-01 1.M4 CA = 52.740(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.3073e-01 1.M4 CB = 29.946(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.7417e-01 1.M4 H = 8.313(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2961e-01 1.M4 N = 121.996(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.9342e-01 1.A5 C = 174.558(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3520e-01 1.A5 CA = 49.755(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7341e-02 1.A5 CB = 16.176(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2147e-01 1.A5 H = 8.290(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8076e-01 1.A5 N = 125.182(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8135e-01 1.D6 C = 172.580(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.9046e-02 1.D6 CA = 50.519(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.9910e-02 1.D6 CB = 36.374(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.4111e-03 1.D6 H = 8.134(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6155e-01 1.D6 N = 118.693(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1216e-01 1.N7 C = 172.344(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.0213e-01 1.N7 CA = 50.732(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3528e-01 1.N7 CB = 35.795(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.6709e-02 1.N7 H = 8.147(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5934e-01 1.N7 N = 119.427(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0185e-01 1.K8 C = 173.772(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.5157e-01 1.K8 CA = 53.734(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4379e-01 1.K8 CB = 29.565(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.0018e-02 1.K8 H = 7.995(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4518e-01 1.K8 N = 120.635(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1235e-01 1.F9 C = 173.966(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.6499e-01 1.F9 CA = 53.274(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1479e-02 1.F9 CB = 36.773(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.2375e-01 1.F9 H = 7.959(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.7757e-01 1.F9 N = 120.038(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.2148e-01 1.N10 C = 172.957(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.9630e-01 1.N10 CA = 49.598(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.6011e-02 1.N10 CB = 35.252(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.1919e-02 1.N10 H = 8.256(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9393e-01 1.N10 N = 120.553(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.8715e-01 1.K11 C = 175.691(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.3514e-01 1.K11 CA = 56.875(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.7280e-01 1.K11 CB = 29.272(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.8109e-02 1.K11 H = 8.197(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9069e-01 1.K11 N = 119.277(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3815e-01 1.E12 C = 176.567(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7652e-01 1.E12 CA = 56.241(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0567e-01 1.E12 CB = 24.722(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.1091e-03 1.E12 H = 8.037(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1946e-01 1.E12 N = 119.311(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9615e-01 1.Q13 C = 174.647(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.9376e-01 1.Q13 CA = 55.847(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3548e-01 1.Q13 CB = 24.531(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.0471e-02 1.Q13 H = 8.335(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4546e-01 1.Q13 N = 121.093(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3825e-01 1.Q14 C = 175.679(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4625e-01 1.Q14 CA = 55.857(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3900e-01 1.Q14 CB = 25.503(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.2783e-02 1.Q14 H = 8.429(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.2316e-01 1.Q14 N = 118.767(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.5508e-01 1.N15 C = 174.375(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.1707e-01 1.N15 CA = 53.165(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4190e-01 1.N15 CB = 35.324(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.6402e-02 1.N15 H = 8.069(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.6708e-01 1.N15 N = 118.260(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.6796e-01 1.A16 C = 175.482(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8910e-01 1.A16 CA = 52.556(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6803e-01 1.A16 CB = 15.331(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.4391e-02 1.A16 H = 7.853(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6304e-01 1.A16 N = 122.734(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8857e-01 1.F17 C = 173.834(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.2546e-01 1.F17 CA = 58.139(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.8168e-01 1.F17 CB = 35.813(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.5656e-02 1.F17 H = 8.105(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2321e-01 1.F17 N = 117.295(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5038e-01 1.Y18 C = 175.903(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.0045e-01 1.Y18 CA = 59.631(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.4983e-01 1.Y18 CB = 35.496(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.6666e-02 1.Y18 H = 8.072(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.3406e-01 1.Y18 N = 117.691(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.0058e-01 1.E19 C = 176.353(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.9091e-01 1.E19 CA = 56.406(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.6188e-01 1.E19 CB = 25.476(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.3878e-03 1.E19 H = 8.258(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0287e-01 1.E19 N = 118.314(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9840e-01 1.I20 C = 174.810(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.8805e-01 1.I20 CA = 62.248(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1183e-01 1.I20 CB = 34.608(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.6471e-02 1.I20 H = 8.011(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9241e-01 1.I20 N = 119.339(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2020e-01 1.L21 C = 174.800(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6870e-01 1.L21 CA = 54.654(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.5017e-01 1.L21 CB = 39.034(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1412e-02 1.L21 H = 8.054(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8657e-01 1.L21 N = 118.085(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3307e-01 1.H22 C = 171.128(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.6404e-02 1.H22 CA = 52.503(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.2042e-02 1.H22 CB = 25.290(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.6789e-02 1.H22 H = 7.249(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.4502e-01 1.H22 N = 110.686(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.4386e-02 1.A23 C = 175.090(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.1345e-01 1.A23 CA = 47.967(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9849e-03 1.A23 CB = 13.598(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1027e-03 1.A23 H = 7.096(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5768e-02 1.A23 N = 127.353(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.4414e-01 1.P24 C = 175.226(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.1284e-01 1.P24 CA = 62.287(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9260e-01 1.P24 CB = 29.571(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.3439e-02 1.N25 C = 173.303(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.7182e-01 1.N25 CA = 49.705(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.1361e-02 1.N25 CB = 35.914(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.0046e-01 1.N25 H = 8.654(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1819e-01 1.N25 N = 112.684(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.2117e-01 1.L26 C = 173.483(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.6526e-02 1.L26 CA = 51.226(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9121e-02 1.L26 CB = 40.348(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9666e-01 1.L26 H = 6.389(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6213e-03 1.L26 N = 117.645(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7980e-01 1.N27 C = 172.835(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.7372e-01 1.N27 CA = 48.329(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.5746e-03 1.N27 CB = 35.776(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.4661e-02 1.N27 H = 8.438(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.7638e-01 1.N27 N = 119.347(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1759e-01 1.E28 C = 174.884(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0846e-01 1.E28 CA = 56.763(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8985e-01 1.E28 CB = 25.273(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.8859e-03 1.E28 H = 8.461(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2429e-01 1.E28 N = 118.069(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5481e-01 1.E29 C = 177.410(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.8184e-01 1.E29 CA = 56.598(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2975e-01 1.E29 CB = 24.510(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.3854e-03 1.E29 H = 8.051(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3630e-01 1.E29 N = 119.337(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0169e-01 1.Q30 C = 176.154(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.3624e-01 1.Q30 CA = 55.094(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9037e-01 1.Q30 CB = 25.858(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.7135e-02 1.Q30 H = 8.494(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.4236e-01 1.Q30 N = 120.339(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0074e-01 1.R31 C = 174.791(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.2514e-01 1.R31 CA = 57.885(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.2932e-01 1.R31 CB = 27.747(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.0660e-01 1.R31 H = 8.523(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.4269e-01 1.R31 N = 119.271(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.7778e-01 1.N32 C = 175.706(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.0756e-01 1.N32 CA = 53.083(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.0794e-01 1.N32 CB = 34.766(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.0239e-02 1.N32 H = 8.424(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9393e-01 1.N32 N = 115.635(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1358e-01 1.G33 C = 173.876(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9745e-01 1.G33 CA = 44.252(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1256e-01 1.G33 H = 7.913(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2117e-01 1.G33 N = 108.165(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9736e-01 1.F34 C = 175.331(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.6433e-01 1.F34 CA = 58.763(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.9042e-01 1.F34 CB = 36.901(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.3941e-01 1.F34 H = 7.772(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1412e-01 1.F34 N = 120.538(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.8320e-01 1.I35 C = 174.877(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.1232e-01 1.I35 CA = 61.963(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.9521e-01 1.I35 CB = 33.949(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.0486e-02 1.I35 H = 8.212(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2034e-01 1.I35 N = 119.131(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.8633e-01 1.Q36 C = 175.802(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.9447e-01 1.Q36 CA = 56.020(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9717e-01 1.Q36 CB = 25.266(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.1080e-02 1.Q36 H = 8.126(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.7342e-01 1.Q36 N = 118.876(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7820e-01 1.S37 C = 172.987(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.4241e-01 1.S37 CA = 59.722(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.2834e-01 1.S37 CB = 60.633(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.2366e-02 1.S37 H = 7.915(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.3615e-01 1.S37 N = 115.470(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1800e-01 1.L38 C = 175.157(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.5457e-01 1.L38 CA = 54.993(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.6848e-01 1.L38 CB = 39.763(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.7549e-01 1.L38 H = 8.146(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9718e-01 1.L38 N = 124.034(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7723e-01 1.K39 C = 176.291(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6147e-01 1.K39 CA = 56.644(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8938e-01 1.K39 CB = 29.777(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0513e-02 1.K39 H = 7.921(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5391e-01 1.K39 N = 115.840(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.6698e-01 1.D40 C = 173.456(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.2513e-02 1.D40 CA = 52.352(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.4943e-01 1.D40 CB = 36.069(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9804e-03 1.D40 H = 7.914(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.9476e-01 1.D40 N = 116.065(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3490e-01 1.D41 C = 169.288(S), Expected = 176.40, Std = 1.7500, ChiSquare = 4.8239e-05 1.D41 CA = 48.331(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7332e-03 1.D41 CB = 35.827(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.8138e-03 1.D41 H = 7.701(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.9372e-01 1.D41 N = 115.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5322e-01 1.P42 C = 175.924(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.8436e-01 1.P42 CA = 62.297(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9675e-01 1.P42 CB = 28.772(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.0947e-03 1.S43 C = 173.362(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6454e-01 1.S43 CA = 58.103(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.6565e-01 1.S43 CB = 59.842(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.4880e-03 1.S43 H = 8.069(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2062e-01 1.S43 N = 112.737(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1416e-01 1.Q44 C = 173.388(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.3401e-01 1.Q44 CA = 52.311(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.6570e-02 1.Q44 CB = 25.068(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.3523e-02 1.Q44 H = 7.759(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.3459e-01 1.Q44 N = 120.218(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2740e-01 1.S45 C = 171.573(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.6476e-02 1.S45 CA = 60.763(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.2366e-01 1.S45 CB = 59.933(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9794e-03 1.S45 H = 7.602(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.5049e-01 1.S45 N = 115.421(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0720e-01 1.A46 C = 178.169(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4038e-01 1.A46 CA = 52.786(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5810e-01 1.A46 CB = 14.851(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3046e-02 1.A46 H = 8.409(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2759e-01 1.A46 N = 122.894(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2438e-01 1.N47 C = 175.093(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2123e-01 1.N47 CA = 52.963(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5891e-01 1.N47 CB = 35.207(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.9308e-02 1.N47 H = 7.781(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.7492e-01 1.N47 N = 118.482(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1148e-01 1.L48 C = 175.647(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9759e-01 1.L48 CA = 55.032(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8250e-01 1.L48 CB = 39.439(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2673e-01 1.L48 H = 8.321(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8866e-01 1.L48 N = 121.358(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9758e-01 1.L49 C = 175.632(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9280e-01 1.L49 CA = 55.161(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.2938e-01 1.L49 CB = 38.924(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1693e-02 1.L49 H = 8.357(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4509e-01 1.L49 N = 118.790(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3118e-01 1.A50 C = 178.365(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6920e-01 1.A50 CA = 52.396(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.0710e-01 1.A50 CB = 14.881(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4053e-02 1.A50 H = 7.453(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1313e-01 1.A50 N = 120.119(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7950e-01 1.E51 C = 175.999(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.5512e-01 1.E51 CA = 55.804(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6823e-01 1.E51 CB = 25.591(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0194e-02 1.E51 H = 7.894(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.5992e-01 1.E51 N = 118.855(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0198e-01 1.A52 C = 176.497(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.5951e-01 1.A52 CA = 52.387(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.0372e-01 1.A52 CB = 14.670(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7712e-02 1.A52 H = 8.187(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8271e-01 1.A52 N = 123.246(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9639e-01 1.K53 C = 175.946(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.2859e-01 1.K53 CA = 56.884(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.7607e-01 1.K53 CB = 29.358(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.3844e-02 1.K53 H = 8.208(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7607e-01 1.K53 N = 118.133(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3908e-01 1.K54 C = 176.928(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.8550e-01 1.K54 CA = 56.698(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0881e-01 1.K54 CB = 29.615(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.4471e-02 1.K54 H = 7.488(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4200e-01 1.K54 N = 119.107(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0628e-01 1.L55 C = 175.151(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.5300e-01 1.L55 CA = 54.734(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7744e-01 1.L55 CB = 39.490(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3361e-01 1.L55 H = 7.703(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1750e-01 1.L55 N = 121.263(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7834e-01 1.N56 C = 174.858(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.1796e-01 1.N56 CA = 54.894(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.7139e-01 1.N56 CB = 38.033(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.9746e-01 1.N56 H = 8.490(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1181e-01 1.N56 N = 117.067(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.4388e-01 1.D57 C = 175.469(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.9473e-01 1.D57 CA = 53.274(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.8547e-01 1.D57 CB = 35.775(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6258e-03 1.D57 H = 8.114(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.3541e-01 1.D57 N = 117.601(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.2959e-01 1.A58 C = 176.443(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.4258e-01 1.A58 CA = 51.418(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8447e-01 1.A58 CB = 15.784(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7927e-02 1.A58 H = 7.932(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5512e-01 1.A58 N = 123.000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4820e-01 1.Q59 C = 171.340(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.0812e-02 1.Q59 CA = 52.229(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2509e-02 1.Q59 CB = 25.225(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.9364e-02 1.Q59 H = 7.378(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.5355e-01 1.Q59 N = 114.883(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.6428e-01 1.A60 C = 172.679(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7499e-02 1.A60 CA = 48.193(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2473e-02 1.A60 CB = 14.894(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4501e-02 1.A60 H = 6.965(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9558e-02 1.A60 N = 124.367(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4807e-01 1.P61 C = 173.762(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.7838e-02 1.P61 CA = 60.408(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.4559e-02 1.P61 CB = 28.972(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.4729e-02 1.K62 C = 177.225(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.6990e-01 1.K62 CA = 53.515(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1844e-01 1.K62 CB = 30.242(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.5230e-01 1.K62 H = 8.219(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6145e-01 1.K62 N = 124.916(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0514e-01