Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.25 K 0.21 Q 0.16 R 0.11 H 0.11 W 0.07 E 0.04 V 0.01 C Shift Assignments>> C :: 176.276(D) CA :: 55.657(D) CB :: 32.810(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) 1.S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R81 1.R81 C Shift Assignments>> C :: 173.998(D) CA :: 58.430(D) CB :: 63.961(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.340(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.089(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.05 L 0.01 C Shift Assignments>> C :: 177.087(D) CA :: 52.126(D) CB :: 19.818(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.370(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.810(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.59 M 0.33 Q 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 175.945(D) CA :: 56.201(D) CB :: 31.407(D) CG :: 36.529(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 :: 8.228(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 :: 119.435(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.18 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.903(D) CA :: 44.843(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.497(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.350(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.23 D 0.14 F 0.14 Y 0.1 R 0.08 N 0.01 I 0.01 C Shift Assignments>> C :: 174.295(D) CA :: 56.483(D) CB :: 41.851(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 :: 9.353(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 :: 121.809(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 E 0.3 Q 0.05 C Shift Assignments>> C :: 174.019(D) CA :: 54.676(D) CB :: 32.742(D) CG :: 35.797(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 :: 9.150(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.652(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.29 F 0.08 D 0.07 G 0.06 K 0.06 Y 0.05 C Shift Assignments>> C :: 173.383(D) CA :: 56.476(D) CB :: 43.457(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 :: 9.315(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 :: 119.741(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.44 G 0.44 K 0.11 C Shift Assignments>> C :: 176.873(D) CA :: 53.061(D) CB :: 34.456(D) CG :: 27.108(D) CD :: 43.382(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 :: 9.226(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 :: 120.495(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.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 177.847(D) CA :: 52.903(D) CB :: 19.204(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.190(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.806(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.59 G 0.24 A 0.09 R 0.06 HN Overlap>> 1.E63 1.E63 1.L32 1.L32 C Shift Assignments>> C :: 174.872(D) CA :: 55.110(D) CB :: 44.049(D) CG :: 26.716(D) CD1 :: 25.603(D) CD2 :: 22.254(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 :: 9.289(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 :: 125.775(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.24 R 0.15 K 0.13 F 0.06 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> C :: 173.429(D) CA :: 54.062(D) CB :: 42.467(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 :: 7.148(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 :: 112.227(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.26 K 0.16 F 0.08 N 0.06 Y 0.06 R 0.04 C Shift Assignments>> C :: 175.646(D) CA :: 54.298(D) CB :: 41.652(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 :: 8.141(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 :: 117.548(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 L 0.2 F 0.15 R 0.15 Y 0.11 D 0.08 I 0.01 C Shift Assignments>> C :: 173.777(D) CA :: 57.419(D) CB :: 42.201(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 :: 8.710(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 :: 121.883(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.76 R 0.19 A 0.01 G 0.01 C Shift Assignments>> C :: 174.124(D) CA :: 53.479(D) CB :: 32.668(D) CG :: 24.24(D) CD :: 28.761(D) CE :: 42.136(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 :: 7.607(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 :: 129.801(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.82 R 0.14 G 0.02 C Shift Assignments>> C :: 176.418(D) CA :: 57.332(D) CB :: 33.016(D) CG :: 23.259(D) CD :: 29.782(D) CE :: 42.284(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 :: 8.339(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 :: 123.062(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.48 E 0.47 Q 0.03 C Shift Assignments>> C :: 176.170(D) CA :: 56.384(D) CB :: 32.532(D) CG :: 36.257(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.287(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 :: 122.999(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.79 G 0.12 K 0.07 C Shift Assignments>> C :: 176.765(D) CA :: 54.429(D) CB :: 31.627(D) CG :: 26.977(D) CD :: 43.346(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 :: 8.818(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 :: 122.069(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.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 I 0.27 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> C :: 178.339(D) CA :: 59.613(D) CB :: 29.820(D) CG :: 36.450(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 :: 8.563(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 :: 120.744(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.67 I 0.12 K 0.09 M 0.06 Q 0.03 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 176.770(D) CA :: 57.324(D) CB :: 29.752(D) CG :: 36.771(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 :: 8.782(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.272(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.23 R 0.19 K 0.09 F 0.04 G 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 175.516(D) CA :: 53.618(D) CB :: 42.811(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 :: 8.050(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 :: 119.704(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.91 A 0.05 G 0.03 C Shift Assignments>> C :: 173.979(D) CA :: 59.371(D) CB :: 41.512(D) CG1 :: 24.819(D) CG2 :: 19.413(D) CD1 :: 15.090(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 :: 8.163(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 :: 111.233(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.26 K 0.16 R 0.1 F 0.07 Y 0.04 N 0.04 C Shift Assignments>> C :: 177.700(D) CA :: 54.275(D) CB :: 42.174(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 :: 7.997(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 :: 115.676(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.22 A 0.01 C Shift Assignments>> C :: 176.466(D) CA :: 53.206(D) CB :: 45.278(D) CD1 :: 24.355(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 :: 9.146(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 :: 116.083(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 Q 0.18 K 0.14 R 0.13 W 0.13 E 0.07 M 0.06 L 0.03 P 0.01 C Shift Assignments>> C :: 173.649(D) CA :: 52.697(D) CB :: 29.154(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 :: 8.124(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 :: 121.494(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 K 0.38 R 0.05 G 0.01 C Shift Assignments>> C :: 177.955(D) CA :: 57.884(D) CB :: 42.171(D) CG :: 27.218(D) CD2 :: 25.117(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 :: 8.528(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 :: 124.362(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.369(D) CA :: 45.140(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.985(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.893(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.25 K 0.18 F 0.12 Y 0.09 N 0.04 R 0.03 C Shift Assignments>> C :: 174.520(D) CA :: 55.289(D) CB :: 41.434(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 :: 8.789(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 :: 123.521(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.89 A 0.1 C Shift Assignments>> C :: 174.835(D) CA :: 57.941(D) CB :: 38.222(D) CG1 :: 26.612(D) CG2 :: 17.389(D) CD1 :: 10.234(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 :: 8.003(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.449(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.28 R 0.01 HN Overlap>> 1.E63 1.L13 1.E63 1.L13 C Shift Assignments>> C :: 176.583(D) CA :: 53.347(D) CB :: 45.210(D) CG :: 27.807(D) CD1 :: 25.113(D) CD2 :: 25.650(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 :: 9.342(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 :: 125.746(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.071(D) CA :: 62.036(D) CB :: 70.595(D) CG2 :: 23.979(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 :: 9.612(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 :: 117.731(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.946(D) CA :: 60.906(D) CB :: 36.183(D) CG1 :: 22.391(D) CG2 :: 20.259(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 :: 10.029(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 :: 131.282(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.25 F 0.11 Y 0.11 L 0.09 C Shift Assignments>> C :: 176.688(D) CA :: 53.969(D) CB :: 39.303(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.503(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 :: 126.924(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.76 R 0.2 G 0.02 C Shift Assignments>> C :: 178.167(D) CA :: 60.121(D) CB :: 32.994(D) CG :: 25.140(D) CD :: 29.832(D) CE :: 42.341(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 :: 9.002(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.048(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.506(D) CA :: 46.792(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.971(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.902(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.750(D) CA :: 60.995(D) CB :: 62.985(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.831(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.005(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 179.479(D) CA :: 57.470(D) CB :: 41.205(D) CG :: 27.320(D) CD1 :: 25.721(D) CD2 :: 23.388(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 :: 7.391(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 :: 121.556(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.Q48 1.Q48 C Shift Assignments>> C :: 180.162(D) CA :: 65.899(D) CB :: 32.112(D) CG1 :: 22.602(D) CG2 :: 21.020(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 :: 8.192(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 :: 120.539(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 178.902(D) CA :: 54.452(D) CB :: 18.356(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.880(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.386(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.73 R 0.1 A 0.09 G 0.05 C Shift Assignments>> C :: 177.181(D) CA :: 54.973(D) CB :: 42.928(D) CG :: 26.754(D) CD1 :: 25.646(D) CD2 :: 22.381(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 :: 7.251(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 :: 116.698(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.518(D) CA :: 45.221(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.887(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.497(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.33 I 0.09 D 0.09 L 0.08 N 0.03 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> C :: 175.519(D) CA :: 57.528(D) CB :: 39.551(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 :: 7.623(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 :: 119.597(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.408(D) CA :: 57.399(D) CB :: 65.039(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.681(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.566(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.97 N 0.02 C Shift Assignments>> C :: 176.470(D) CA :: 56.480(D) CB :: 40.788(D) CG :: 180.147(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 :: 8.570(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 :: 122.562(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 176.850(D) CA :: 45.212(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.333(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.991(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.56 E 0.43 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 176.758(D) CA :: 58.088(D) CB :: 29.194(D) CG :: 35.036(D) CD :: 180.061(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 :: 8.160(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 :: 120.579(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.48 Q 0.24 R 0.23 I 0.01 E 0.01 C Shift Assignments>> C :: 175.600(D) CA :: 57.949(D) CB :: 26.102(D) CG :: 33.478(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.604(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 :: 117.898(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 176.000(D) CA :: 51.668(D) CB :: 19.088(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.593(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.050(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.8 R 0.14 A 0.02 G 0.01 C Shift Assignments>> CA :: 53.393(D) CB :: 32.383(D) CG :: 24.087(D) CD :: 29.247(D) CE :: 42.092(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 :: 7.503(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 :: 118.635(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.878(D) CA :: 64.763(D) CB :: 30.660(D) CG :: 27.847(D) CD :: 50.929(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.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.32 Q 0.23 I 0.2 K 0.17 R 0.05 C Shift Assignments>> C :: 177.248(D) CA :: 58.462(D) CB :: 27.468(D) CG :: 35.334(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 :: 10.039(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 :: 119.348(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.7 M 0.11 I 0.07 K 0.06 Q 0.02 HN Overlap>> 1.F44 1.F44 C Shift Assignments>> C :: 176.878(D) CA :: 56.663(D) CB :: 30.155(D) CG :: 36.930(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 :: 7.637(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 :: 119.620(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.149(D) CA :: 62.827(D) CB :: 38.321(D) CG1 :: 27.024(D) CG2 :: 17.012(D) CD1 :: 13.207(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.315(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.670(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.769(D) CA :: 46.181(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.702(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.890(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.17 R 0.16 H 0.15 Q 0.11 K 0.07 M 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 174.867(D) CA :: 57.855(D) CB :: 30.566(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.146(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.704(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.26 R 0.01 C Shift Assignments>> C :: 173.671(D) CA :: 53.446(D) CB :: 45.178(D) CG :: 27.762(D) CD1 :: 25.723(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 :: 8.278(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 :: 123.651(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.8 N 0.1 G 0.09 C Shift Assignments>> C :: 175.257(D) CA :: 52.998(D) CB :: 42.819(D) CG :: 178.275(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 :: 7.880(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 :: 117.256(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 169.514(D) CA :: 46.606(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.930(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.548(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.23 D 0.17 F 0.11 R 0.1 Y 0.08 N 0.01 C Shift Assignments>> C :: 173.671(D) CA :: 55.980(D) CB :: 41.997(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 :: 8.790(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 :: 120.689(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 D 0.23 L 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.086(D) CA :: 52.458(D) CB :: 39.267(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.080(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 :: 126.503(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E63 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.7 E 0.21 N 0.08 HN Overlap>> 1.L13 1.L32 1.L13 1.L32 C Shift Assignments>> C :: 178.850(D) CA :: 57.896(D) CB :: 29.349(D) CG :: 35.330(D) CD :: 177.268(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.349(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.716(D) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CD > C : 0.9907) 1.T64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.095(D) CA :: 66.045(D) CB :: 68.890(D) CG2 :: 22.962(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 :: 8.241(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 :: 116.090(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.353(D) CA :: 61.510(D) CB :: 70.461(D) CG2 :: 21.817(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.359(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 :: 109.172(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.980(D) CA :: 45.636(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.690(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.455(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 M 0.42 Q 0.02 C Shift Assignments>> C :: 173.751(D) CA :: 55.711(D) CB :: 31.923(D) CG :: 36.626(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 :: 7.115(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 :: 118.565(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.73 G 0.26 C Shift Assignments>> C :: 175.054(D) CA :: 54.125(D) CB :: 34.107(D) CG :: 27.536(D) CD :: 43.419(D) CZ :: 159.709(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 :: 8.655(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 :: 120.220(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.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 171.039(D) CA :: 45.897(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.882(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.688(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.9 N 0.07 G 0.01 C Shift Assignments>> C :: 175.853(D) CA :: 53.644(D) CB :: 42.175(D) CG :: 179.035(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 :: 8.505(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 :: 120.990(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.22 Y 0.15 F 0.15 L 0.08 I 0.01 C Shift Assignments>> CA :: 54.611(D) CB :: 39.083(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 :: 8.946(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 :: 113.653(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.593(D) CA :: 61.614(D) CB :: 30.783(D) CG :: 26.935(D) CD :: 49.924(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.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.487(D) CA :: 46.522(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.936(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.153(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.677(D) CA :: 62.713(D) CB :: 69.045(D) CG2 :: 22.945(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.301(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 :: 104.038(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.33 I 0.15 D 0.04 L 0.04 N 0.01 E 0.01 C Shift Assignments>> C :: 174.971(D) CA :: 58.101(D) CB :: 39.025(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 :: 7.524(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 :: 119.522(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.78 A 0.2 C Shift Assignments>> C :: 173.054(D) CA :: 58.613(D) CB :: 36.501(D) CG1 :: 21.047(D) CG2 :: 19.138(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.320(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 :: 108.926(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.79 E 0.13 Q 0.06 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 175.715(D) CA :: 53.154(D) CB :: 33.146(D) CG :: 35.313(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 :: 8.784(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.382(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.34 I 0.19 L 0.03 D 0.03 E 0.01 C Shift Assignments>> C :: 176.032(D) CA :: 58.611(D) CB :: 39.161(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 :: 9.472(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 :: 125.529(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 60.990(D) CB :: 38.881(D) CG1 :: 27.133(D) CG2 :: 17.509(D) CD1 :: 12.959(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 :: 8.344(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 :: 122.047(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.73 L 0.17 R 0.05 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.882(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.R81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.59 G 0.23 R 0.14 A 0.02 HN Overlap>> 1.S4 1.S4 C Shift Assignments>> C :: 176.750(D) CA :: 55.003(D) CB :: 32.097(D) CG :: 23.987(D) CD :: 43.328(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 :: 8.340(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 :: 117.092(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.K82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 175.193(D) CA :: 55.765(D) CB :: 34.511(D) CG :: 24.742(D) CD :: 29.590(D) CE :: 42.168(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 :: 8.333(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 :: 122.730(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.82 R 0.16 C Shift Assignments>> C :: 176.190(D) CA :: 56.289(D) CB :: 32.903(D) CG :: 24.768(D) CD :: 29.108(D) CE :: 41.911(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 :: 8.592(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.430(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.883(D) CA :: 60.963(D) CB :: 39.122(D) CG1 :: 26.561(D) CG2 :: 17.852(D) CD1 :: 13.816(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 :: 8.423(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 :: 123.741(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.791(D) CB :: 64.593(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.304(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 :: 121.323(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.901(D) CB :: 32.187(D) CG :: 27.252(D) CD :: 50.551(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) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 83 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 84 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 1 C Shift Results: #Consistent: 0 #Duplicate: 327 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 79 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 79 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M3 C = 176.276(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.6336e-01 1.M3 CA = 55.657(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.3903e-01 1.M3 CB = 32.810(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.3595e-01 1.S4 C = 173.998(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1763e-01 1.S4 CA = 58.430(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.8858e-01 1.S4 CB = 63.961(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1337e-01 1.S4 H = 8.340(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1900e-01 1.S4 N = 117.089(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1822e-01 1.A5 C = 177.087(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.5917e-01 1.A5 CA = 52.126(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.0857e-01 1.A5 CB = 19.818(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5883e-01 1.A5 H = 8.370(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7692e-01 1.A5 N = 125.810(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6612e-01 1.E6 C = 175.945(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.3524e-01 1.E6 CA = 56.201(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.9237e-01 1.E6 CB = 31.407(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.1667e-01 1.E6 CG = 36.529(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.2476e-01 1.E6 H = 8.228(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6274e-01 1.E6 N = 119.435(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2268e-01 1.G7 C = 171.903(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.9543e-01 1.G7 CA = 44.843(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0516e-01 1.G7 H = 8.497(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9724e-01 1.G7 N = 109.350(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3410e-01 1.Y8 C = 174.295(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.7871e-01 1.Y8 CA = 56.483(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.1171e-01 1.Y8 CB = 41.851(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.4129e-01 1.Y8 H = 9.353(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.5705e-01 1.Y8 N = 121.809(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.5892e-01 1.Q9 C = 174.019(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.4005e-01 1.Q9 CA = 54.676(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7613e-01 1.Q9 CB = 32.742(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.0980e-02 1.Q9 CG = 35.797(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.6486e-02 1.Q9 H = 9.150(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.1496e-01 1.Q9 N = 119.652(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4729e-01 1.Y10 C = 173.383(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.1079e-01 1.Y10 CA = 56.476(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.0992e-01 1.Y10 CB = 43.457(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.5457e-02 1.Y10 H = 9.315(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.7288e-01 1.Y10 N = 119.741(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.5286e-01 1.R11 C = 176.873(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.1958e-01 1.R11 CA = 53.061(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0836e-01 1.R11 CB = 34.456(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.0125e-02 1.R11 CG = 27.108(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.3226e-01 1.R11 CD = 43.382(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.0083e-01 1.R11 H = 9.226(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0601e-01 1.R11 N = 120.495(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3395e-01 1.A12 C = 177.847(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5994e-01 1.A12 CA = 52.903(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0472e-01 1.A12 CB = 19.204(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1557e-01 1.A12 H = 9.190(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8943e-02 1.A12 N = 127.806(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.9613e-01 1.L13 C = 174.872(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8476e-01 1.L13 CA = 55.110(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1077e-01 1.L13 CB = 44.049(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5497e-01 1.L13 CG = 26.716(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.5360e-01 1.L13 CD1 = 25.603(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.7866e-01 1.L13 CD2 = 22.254(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.9075e-01 1.L13 H = 9.289(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0326e-01 1.L13 N = 125.775(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1545e-01 1.Y14 C = 173.429(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.2195e-01 1.Y14 CA = 54.062(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.0508e-01 1.Y14 CB = 42.467(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.4513e-01 1.Y14 H = 7.148(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.0839e-01 1.Y14 N = 112.227(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.8322e-02 1.D15 C = 175.646(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.6657e-01 1.D15 CA = 54.298(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4688e-01 1.D15 CB = 41.652(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.3369e-01 1.D15 H = 8.141(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.7076e-01 1.D15 N = 117.548(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.2161e-01 1.Y16 C = 173.777(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.1474e-01 1.Y16 CA = 57.419(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7697e-01 1.Y16 CB = 42.201(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.8227e-01 1.Y16 H = 8.710(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9317e-01 1.Y16 N = 121.883(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.4554e-01 1.K17 C = 174.124(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.0839e-01 1.K17 CA = 53.479(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1463e-01 1.K17 CB = 32.668(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4536e-01 1.K17 CG = 24.24(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.6514e-01 1.K17 CD = 28.761(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.5381e-01 1.K17 CE = 42.136(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.6418e-01 1.K17 H = 7.607(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.3122e-01 1.K17 N = 129.801(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0275e-02 1.K18 C = 176.418(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.1162e-01 1.K18 CA = 57.332(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.6215e-01 1.K18 CB = 33.016(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9897e-01 1.K18 CG = 23.259(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.4892e-01 1.K18 CD = 29.782(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.4659e-01 1.K18 CE = 42.284(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.3088e-01 1.K18 H = 8.339(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0388e-01 1.K18 N = 123.062(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9356e-01 1.E19 C = 176.170(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1961e-01 1.E19 CA = 56.384(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.5426e-01 1.E19 CB = 32.532(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.4257e-01 1.E19 CG = 36.257(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.0169e-01 1.E19 H = 9.287(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0480e-01 1.E19 N = 122.999(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.0333e-01 1.R20 C = 176.765(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.6118e-01 1.R20 CA = 54.429(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.1086e-01 1.R20 CB = 31.627(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.1247e-01 1.R20 CG = 26.977(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.4605e-01 1.R20 CD = 43.346(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.3260e-01 1.R20 H = 8.818(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.4336e-01 1.R20 N = 122.069(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3022e-01 1.E21 C = 178.339(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.5125e-01 1.E21 CA = 59.613(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.7258e-01 1.E21 CB = 29.820(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1204e-01 1.E21 CG = 36.450(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.7510e-01 1.E21 H = 8.563(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9291e-01 1.E21 N = 120.744(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8303e-01 1.E22 C = 176.770(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5910e-01 1.E22 CA = 57.324(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.9847e-01 1.E22 CB = 29.752(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8076e-01 1.E22 CG = 36.771(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.7858e-01 1.E22 H = 8.782(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4362e-01 1.E22 N = 115.272(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2087e-01 1.D23 C = 175.516(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1346e-01 1.D23 CA = 53.618(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.9744e-01 1.D23 CB = 42.811(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.3327e-01 1.D23 H = 8.050(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.5395e-01 1.D23 N = 119.704(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0640e-01 1.I24 C = 173.979(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.2982e-01 1.I24 CA = 59.371(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.0347e-01 1.I24 CB = 41.512(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.5366e-01 1.I24 CG1 = 24.819(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.5281e-02 1.I24 CG2 = 19.413(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.6619e-01 1.I24 CD1 = 15.090(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.2022e-01 1.I24 H = 8.163(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6339e-01 1.I24 N = 111.233(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.6872e-02 1.D25 C = 177.700(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.5757e-01 1.D25 CA = 54.275(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3801e-01 1.D25 CB = 42.174(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2443e-01 1.D25 H = 7.997(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.8943e-01 1.D25 N = 115.676(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9754e-01 1.L26 C = 176.466(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.9128e-01 1.L26 CA = 53.206(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5707e-01 1.L26 CB = 45.278(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1440e-01 1.L26 CD1 = 24.355(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.1843e-01 1.L26 H = 9.146(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5877e-01 1.L26 N = 116.083(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3853e-01 1.H27 C = 173.649(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.1640e-01 1.H27 CA = 52.697(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.7929e-02 1.H27 CB = 29.154(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.9983e-01 1.H27 H = 8.124(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.6455e-01 1.H27 N = 121.494(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.5199e-01 1.L28 C = 177.955(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2599e-01 1.L28 CA = 57.884(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8782e-01 1.L28 CB = 42.171(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.4106e-01 1.L28 CG = 27.218(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.9050e-01 1.L28 CD2 = 25.117(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.3024e-01 1.L28 H = 8.528(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4662e-01 1.L28 N = 124.362(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.2117e-01 1.G29 C = 174.369(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9068e-01 1.G29 CA = 45.140(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7547e-01 1.G29 H = 8.985(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.1360e-01 1.G29 N = 115.893(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0783e-01 1.D30 C = 174.520(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.8269e-01 1.D30 CA = 55.289(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.6794e-01 1.D30 CB = 41.434(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.3237e-01 1.D30 H = 8.789(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.0888e-01 1.D30 N = 123.521(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.5701e-01 1.I31 C = 174.835(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.9705e-01 1.I31 CA = 57.941(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7099e-01 1.I31 CB = 38.222(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3993e-01 1.I31 CG1 = 26.612(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.1339e-01 1.I31 CG2 = 17.389(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.1743e-01 1.I31 CD1 = 10.234(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.5649e-02 1.I31 H = 8.003(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8375e-01 1.I31 N = 120.449(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1327e-01 1.L32 C = 176.583(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3714e-01 1.L32 CA = 53.347(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8591e-01 1.L32 CB = 45.210(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2294e-01 1.L32 CG = 27.807(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.5049e-01 1.L32 CD1 = 25.113(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.0478e-01 1.L32 CD2 = 25.650(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.4661e-01 1.L32 H = 9.342(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7124e-02 1.L32 N = 125.746(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1905e-01 1.T33 C = 175.071(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.6288e-01 1.T33 CA = 62.036(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4336e-01 1.T33 CB = 70.595(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.9564e-01 1.T33 CG2 = 23.979(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.8649e-02 1.T33 H = 9.612(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.6904e-02 1.T33 N = 117.731(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2659e-01 1.V34 C = 174.946(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2279e-01 1.V34 CA = 60.906(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.7968e-01 1.V34 CB = 36.183(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.3725e-02 1.V34 CG1 = 22.391(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.0765e-01 1.V34 CG2 = 20.259(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.2109e-01 1.V34 H = 10.029(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4447e-03 1.V34 N = 131.282(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.5488e-02 1.N35 C = 176.688(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.2826e-01 1.N35 CA = 53.969(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1950e-01 1.N35 CB = 39.303(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1681e-01 1.N35 H = 9.503(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4888e-02 1.N35 N = 126.924(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7298e-02 1.K36 C = 178.167(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.4517e-01 1.K36 CA = 60.121(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4948e-01 1.K36 CB = 32.994(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0876e-01 1.K36 CG = 25.140(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.2491e-01 1.K36 CD = 29.832(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.1943e-01 1.K36 CE = 42.341(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.8232e-01 1.K36 H = 9.002(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.7595e-01 1.K36 N = 127.048(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1161e-01 1.G37 C = 176.506(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6088e-01 1.G37 CA = 46.792(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.8187e-01 1.G37 H = 8.971(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2406e-01 1.G37 N = 104.902(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1793e-01 1.S38 C = 175.750(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.1120e-01 1.S38 CA = 60.995(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7175e-01 1.S38 CB = 62.985(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.8186e-01 1.S38 H = 7.831(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.4665e-01 1.S38 N = 117.005(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3682e-01 1.L39 C = 179.479(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0873e-01 1.L39 CA = 57.470(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8510e-01 1.L39 CB = 41.205(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.5669e-01 1.L39 CG = 27.320(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.2349e-01 1.L39 CD1 = 25.721(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.2898e-01 1.L39 CD2 = 23.388(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.9697e-01 1.L39 H = 7.391(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9678e-01 1.L39 N = 121.556(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3787e-01 1.V40 C = 180.162(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.6824e-02 1.V40 CA = 65.899(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3328e-01 1.V40 CB = 32.112(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2991e-01 1.V40 CG1 = 22.602(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.1356e-01 1.V40 CG2 = 21.020(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.7773e-01 1.V40 H = 8.192(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8371e-01 1.V40 N = 120.539(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9468e-01 1.A41 C = 178.902(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.8538e-01 1.A41 CA = 54.452(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0757e-01 1.A41 CB = 18.356(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2081e-01 1.A41 H = 7.880(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9380e-01 1.A41 N = 122.386(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1156e-01 1.L42 C = 177.181(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.2315e-01 1.L42 CA = 54.973(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.6131e-01 1.L42 CB = 42.928(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4236e-01 1.L42 CG = 26.754(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.8114e-01 1.L42 CD1 = 25.646(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.6030e-01 1.L42 CD2 = 22.381(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.2622e-01 1.L42 H = 7.251(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3203e-01 1.L42 N = 116.698(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8564e-01 1.G43 C = 174.518(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.3033e-01 1.G43 CA = 45.221(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2331e-01 1.G43 H = 7.887(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.9553e-01 1.G43 N = 106.497(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1228e-01 1.F44 C = 175.519(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.6032e-01 1.F44 CA = 57.528(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.2993e-01 1.F44 CB = 39.551(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.3363e-01 1.F44 H = 7.623(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.0602e-01 1.F44 N = 119.597(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.3830e-01 1.S45 C = 174.408(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0190e-01 1.S45 CA = 57.399(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2337e-01 1.S45 CB = 65.039(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0250e-01 1.S45 H = 8.681(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9672e-01 1.S45 N = 117.566(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.1486e-01 1.D46 C = 176.470(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.6809e-01 1.D46 CA = 56.480(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.7790e-01 1.D46 CB = 40.788(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.5471e-01 1.D46 CG = 180.147(D), Expected = 179.17, Std = 1.7900, ChiSquare = 5.8520e-01 1.D46 H = 8.570(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.5395e-01 1.D46 N = 122.562(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2036e-01 1.G47 C = 176.850(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.1294e-01 1.G47 CA = 45.212(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1798e-01 1.G47 H = 9.333(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2281e-01 1.G47 N = 115.991(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0240e-01 1.Q48 C = 176.758(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.1829e-01 1.Q48 CA = 58.088(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.7811e-01 1.Q48 CB = 29.194(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.9825e-01 1.Q48 CG = 35.036(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.5033e-01 1.Q48 CD = 180.061(D), Expected = 179.69, Std = 1.2900, ChiSquare = 7.7366e-01 1.Q48 H = 8.160(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.1900e-01 1.Q48 N = 120.579(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4822e-01 1.E49 C = 175.600(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1486e-01 1.E49 CA = 57.949(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6345e-01 1.E49 CB = 26.102(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.3081e-02 1.E49 CG = 33.478(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.6983e-02 1.E49 H = 9.604(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0825e-02 1.E49 N = 117.898(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2571e-01 1.A50 C = 176.000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.1399e-01 1.A50 CA = 51.668(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5722e-01 1.A50 CB = 19.088(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6600e-01 1.A50 H = 6.593(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3990e-03 1.A50 N = 120.050(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.6902e-01 1.K51 CA = 53.393(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0592e-01 1.K51 CB = 32.383(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.1914e-01 1.K51 CG = 24.087(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.7732e-01 1.K51 CD = 29.247(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9044e-01 1.K51 CE = 42.092(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.0542e-01 1.K51 H = 7.503(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5221e-01 1.K51 N = 118.635(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2179e-01 1.P52 C = 176.878(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3245e-01 1.P52 CA = 64.763(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.4580e-01 1.P52 CB = 30.660(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.1323e-01 1.P52 CG = 27.847(D), Expected = 27.17, Std = 1.0900, ChiSquare = 5.3453e-01 1.P52 CD = 50.929(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.3845e-01 1.E53 C = 177.248(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4630e-01 1.E53 CA = 58.462(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8478e-01 1.E53 CB = 27.468(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.3943e-01 1.E53 CG = 35.334(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1434e-01 1.E53 H = 10.039(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7722e-03 1.E53 N = 119.348(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0403e-01 1.E54 C = 176.878(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9673e-01 1.E54 CA = 56.663(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5325e-01 1.E54 CB = 30.155(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3282e-01 1.E54 CG = 36.930(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.9078e-01 1.E54 H = 7.637(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4016e-01 1.E54 N = 119.620(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6286e-01 1.I55 C = 176.149(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.7625e-01 1.I55 CA = 62.827(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.4975e-01 1.I55 CB = 38.321(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.7842e-01 1.I55 CG1 = 27.024(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.8303e-01 1.I55 CG2 = 17.012(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.0329e-01 1.I55 CD1 = 13.207(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.9377e-01 1.I55 H = 7.315(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.5586e-01 1.I55 N = 120.670(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5356e-01 1.G56 C = 173.769(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5716e-01 1.G56 CA = 46.181(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.3516e-01 1.G56 H = 7.702(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3397e-01 1.G56 N = 108.890(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4027e-01 1.W57 C = 174.867(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.3303e-01 1.W57 CA = 57.855(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.3975e-01 1.W57 CB = 30.566(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.8207e-01 1.W57 H = 8.146(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.5536e-01 1.W57 N = 124.704(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.6941e-01 1.L58 C = 173.671(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3687e-02 1.L58 CA = 53.446(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0742e-01 1.L58 CB = 45.178(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2713e-01 1.L58 CG = 27.762(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.7200e-01 1.L58 CD1 = 25.723(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.2816e-01 1.L58 H = 8.278(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4113e-01 1.L58 N = 123.651(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4607e-01 1.N59 C = 175.257(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.9421e-01 1.N59 CA = 52.998(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.7312e-01 1.N59 CB = 42.819(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.4558e-02 1.N59 CG = 178.275(D), Expected = 176.76, Std = 1.3800, ChiSquare = 2.7228e-01 1.N59 H = 7.880(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.6529e-01 1.N59 N = 117.256(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.7786e-01 1.G60 C = 169.514(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.0503e-02 1.G60 CA = 46.606(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4860e-01 1.G60 H = 8.930(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5597e-01 1.G60 N = 111.548(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.2748e-01 1.Y61 C = 173.671(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.8493e-01 1.Y61 CA = 55.980(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.9168e-01 1.Y61 CB = 41.997(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.1522e-01 1.Y61 H = 8.790(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.1968e-01 1.Y61 N = 120.689(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6790e-01 1.N62 C = 174.086(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.0832e-01 1.N62 CA = 52.458(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.6493e-01 1.N62 CB = 39.267(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.3279e-01 1.N62 H = 9.080(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.4015e-01 1.N62 N = 126.503(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0223e-02 1.E63 C = 178.850(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0992e-01 1.E63 CA = 57.896(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8286e-01 1.E63 CB = 29.349(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.0075e-01 1.E63 CG = 35.330(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1217e-01 1.E63 CD = 177.268(D), Expected = 182.40, Std = 1.7800, ChiSquare = 3.9372e-03 1.E63 H = 9.349(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4146e-02 1.E63 N = 125.716(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4706e-01 1.E63 SRO Rule Break>> CD > C : 0.990654205607477 1.T64 C = 176.095(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.7695e-01 1.T64 CA = 66.045(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3972e-01 1.T64 CB = 68.890(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0632e-01 1.T64 CG2 = 22.962(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.0335e-01 1.T64 H = 8.241(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9871e-01 1.T64 N = 116.090(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.8783e-01 1.T65 C = 176.353(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.0296e-01 1.T65 CA = 61.510(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.8398e-01 1.T65 CB = 70.461(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5382e-01 1.T65 CG2 = 21.817(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.0991e-01 1.T65 H = 7.359(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5533e-01 1.T65 N = 109.172(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8839e-01 1.G66 C = 173.980(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5334e-01 1.G66 CA = 45.636(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3099e-01 1.G66 H = 8.690(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7968e-01 1.G66 N = 112.455(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7175e-01 1.E67 C = 173.751(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0971e-01 1.E67 CA = 55.711(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4139e-01 1.E67 CB = 31.923(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.6605e-01 1.E67 CG = 36.626(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.6457e-01 1.E67 H = 7.115(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.9463e-02 1.E67 N = 118.565(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4526e-01 1.R68 C = 175.054(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.0415e-01 1.R68 CA = 54.125(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.5220e-01 1.R68 CB = 34.107(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2639e-02 1.R68 CG = 27.536(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8588e-01 1.R68 CD = 43.419(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.6851e-01 1.R68 CZ = 159.709(D), Expected = 159.97, Std = 2.9500, ChiSquare = 9.2950e-01 1.R68 H = 8.655(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9630e-01 1.R68 N = 120.220(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7477e-01 1.G69 C = 171.039(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.3211e-01 1.G69 CA = 45.897(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8312e-01 1.G69 H = 8.882(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9575e-01 1.G69 N = 111.688(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.0206e-01 1.D70 C = 175.853(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5461e-01 1.D70 CA = 53.644(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0636e-01 1.D70 CB = 42.175(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2407e-01 1.D70 CG = 179.035(D), Expected = 179.17, Std = 1.7900, ChiSquare = 9.3988e-01 1.D70 H = 8.505(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.3671e-01 1.D70 N = 120.990(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2981e-01 1.F71 CA = 54.611(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.7708e-01 1.F71 CB = 39.083(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.6431e-01 1.F71 H = 8.946(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1571e-01 1.F71 N = 113.653(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0393e-01 1.P72 C = 178.593(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.2226e-01 1.P72 CA = 61.614(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.5892e-01 1.P72 CB = 30.783(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.6587e-01 1.P72 CG = 26.935(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.2930e-01 1.P72 CD = 49.924(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.8916e-01 1.G73 C = 174.487(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.4277e-01 1.G73 CA = 46.522(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.8178e-01 1.G73 H = 7.936(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4441e-01 1.G73 N = 112.153(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2113e-01 1.T74 C = 175.677(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.1826e-01 1.T74 CA = 62.713(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4904e-01 1.T74 CB = 69.045(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.7431e-01 1.T74 CG2 = 22.945(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.0884e-01 1.T74 H = 7.301(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2989e-01 1.T74 N = 104.038(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.6566e-02 1.Y75 C = 174.971(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.2932e-01 1.Y75 CA = 58.101(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.9078e-01 1.Y75 CB = 39.025(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.9137e-01 1.Y75 H = 7.524(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.7553e-01 1.Y75 N = 119.522(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.1218e-01 1.V76 C = 173.054(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7685e-01 1.V76 CA = 58.613(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7523e-01 1.V76 CB = 36.501(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5143e-02 1.V76 CG1 = 21.047(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.4462e-01 1.V76 CG2 = 19.138(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.7375e-01 1.V76 H = 7.320(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4768e-01 1.V76 N = 108.926(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1386e-03 1.E77 C = 175.715(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.5364e-01 1.E77 CA = 53.154(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6228e-02 1.E77 CB = 33.146(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8265e-02 1.E77 CG = 35.313(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.0302e-01 1.E77 H = 8.784(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4160e-01 1.E77 N = 115.382(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2863e-01 1.Y78 C = 176.032(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.5080e-01 1.Y78 CA = 58.611(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.4803e-01 1.Y78 CB = 39.161(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.4132e-01 1.Y78 H = 9.472(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1455e-01 1.Y78 N = 125.529(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.3302e-01 1.I79 CA = 60.990(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1705e-01 1.I79 CB = 38.881(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.0111e-01 1.I79 CG1 = 27.133(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.3126e-01 1.I79 CG2 = 17.509(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.8768e-01 1.I79 CD1 = 12.959(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.7792e-01 1.I79 H = 8.344(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2502e-01 1.I79 N = 122.047(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9091e-01 1.G80 CA = 44.882(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.2690e-01 1.R81 C = 176.750(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.6699e-01 1.R81 CA = 55.003(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.4431e-01 1.R81 CB = 32.097(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.4523e-01 1.R81 CG = 23.987(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.2349e-03 1.R81 CD = 43.328(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.4860e-01 1.R81 H = 8.340(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6978e-01 1.R81 N = 117.092(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1364e-01 1.K82 C = 175.193(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.6937e-01 1.K82 CA = 55.765(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.9014e-01 1.K82 CB = 34.511(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.3362e-01 1.K82 CG = 24.742(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.9580e-01 1.K82 CD = 29.590(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.5967e-01 1.K82 CE = 42.168(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3459e-01 1.K82 H = 8.333(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1162e-01 1.K82 N = 122.730(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5587e-01 1.K83 C = 176.190(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.2198e-01 1.K83 CA = 56.289(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6383e-01 1.K83 CB = 32.903(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4938e-01 1.K83 CG = 24.768(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1402e-01 1.K83 CD = 29.108(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.9100e-01 1.K83 CE = 41.911(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.7957e-01 1.K83 H = 8.592(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0286e-01 1.K83 N = 127.430(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0587e-02 1.I84 C = 174.883(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.1451e-01 1.I84 CA = 60.963(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0923e-01 1.I84 CB = 39.122(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.0757e-01 1.I84 CG1 = 26.561(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.9402e-01 1.I84 CG2 = 17.852(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.1284e-01 1.I84 CD1 = 13.816(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.1721e-01 1.I84 H = 8.423(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3344e-01 1.I84 N = 123.741(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.9407e-01 1.S85 CA = 55.791(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5708e-01 1.S85 CB = 64.593(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.9209e-01 1.S85 H = 8.304(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.6755e-01 1.S85 N = 121.323(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.5195e-01 1.P86 CA = 64.901(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.0135e-01 1.P86 CB = 32.187(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7519e-01 1.P86 CG = 27.252(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.4003e-01 1.P86 CD = 50.551(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.1550e-01