Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.34 V 0.3 C 0.18 W 0.05 I 0.05 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.719(D) CA :: 62.733(D) CB :: 31.107(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.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 176.421(D) CA :: 55.888(D) CB :: 29.095(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.430(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.859(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.12 E 0.12 C 0.12 M 0.09 K 0.06 C Shift Assignments>> C :: 176.188(D) CA :: 55.425(D) CB :: 30.351(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 :: 8.261(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 :: 122.468(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.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R221 1.R221 C Shift Assignments>> C :: 174.566(D) CA :: 57.845(D) CB :: 63.408(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.458(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 :: 118.243(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 N 0.21 F 0.15 Y 0.14 L 0.11 C 0.09 I 0.01 C Shift Assignments>> C :: 176.879(D) CA :: 54.893(D) CB :: 39.684(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 :: 8.387(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 :: 122.699(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 C 0.24 Y 0.21 F 0.15 E 0.08 M 0.01 C Shift Assignments>> C :: 177.154(D) CA :: 59.844(D) CB :: 37.582(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 :: 8.049(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 :: 121.019(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 K 0.14 Q 0.13 W 0.12 E 0.11 R 0.1 H 0.1 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 178.327(D) CA :: 57.898(D) CB :: 28.306(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 :: 8.087(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 :: 120.829(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 Q 0.12 W 0.12 K 0.11 E 0.09 H 0.08 I 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 178.340(D) CA :: 58.065(D) CB :: 27.973(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 :: 8.176(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 :: 120.971(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.15 Q 0.12 W 0.1 L 0.1 K 0.08 H 0.07 I 0.07 E 0.07 HN Overlap>> 1.R229 1.R229 C Shift Assignments>> C :: 178.462(D) CA :: 57.809(D) CB :: 27.546(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 :: 8.115(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 :: 119.895(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 C 0.15 Q 0.12 L 0.1 W 0.09 K 0.07 I 0.07 H 0.07 E 0.07 C Shift Assignments>> C :: 178.099(D) CA :: 57.778(D) CB :: 27.468(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 :: 7.965(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 :: 120.349(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 L 0.13 D 0.13 C 0.1 K 0.07 I 0.04 N 0.02 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 179.556(D) CA :: 57.161(D) CB :: 40.542(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 :: 7.874(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 :: 121.545(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.16 L 0.11 Q 0.11 W 0.09 I 0.09 H 0.07 K 0.06 E 0.06 C Shift Assignments>> C :: 178.639(D) CA :: 57.976(D) CB :: 27.322(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 :: 7.953(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 :: 119.762(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.14 R 0.11 E 0.11 H 0.09 K 0.09 V 0.08 M 0.07 Q 0.05 I 0.01 HN Overlap>> 1.A39 1.A39 1.L14 1.L14 C Shift Assignments>> C :: 178.541(D) CA :: 59.151(D) CB :: 31.320(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 :: 7.852(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 :: 121.645(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.15 W 0.11 Q 0.11 I 0.11 K 0.1 E 0.08 H 0.07 L 0.06 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 179.215(D) CA :: 58.416(D) CB :: 27.792(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.984(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 :: 119.571(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 R 0.13 I 0.13 W 0.12 Q 0.1 K 0.1 E 0.08 H 0.07 L 0.04 HN Overlap>> 1.R86 1.R86 C Shift Assignments>> C :: 178.634(D) CA :: 58.786(D) CB :: 27.890(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 :: 7.946(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 :: 120.574(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 K 0.14 C 0.13 W 0.12 R 0.11 E 0.1 H 0.1 I 0.05 L 0.04 M 0.01 C Shift Assignments>> CA :: 57.499(D) CB :: 28.280(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 :: 8.063(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.192(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> C :: 179.008(D) CA :: 53.252(D) CB :: 17.546(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.R21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 C 0.14 K 0.13 E 0.13 Q 0.12 H 0.11 R 0.1 I 0.04 M 0.02 C Shift Assignments>> C :: 179.527(D) CA :: 58.090(D) CB :: 29.210(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 :: 7.723(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 :: 118.485(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.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.18 E 0.14 H 0.11 R 0.11 Q 0.1 I 0.07 M 0.02 K 0.02 V 0.02 C Shift Assignments>> CA :: 59.107(D) CB :: 29.668(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 :: 7.367(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 :: 120.709(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 I 0.27 C 0.16 P 0.11 C Shift Assignments>> C :: 177.767(D) CA :: 66.592(D) CB :: 30.007(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) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.15 R 0.11 E 0.11 H 0.09 V 0.08 K 0.07 M 0.05 Q 0.05 I 0.02 C Shift Assignments>> CA :: 59.414(D) CB :: 31.128(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 :: 7.957(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 :: 117.392(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.824(D) CA :: 60.637(D) CB :: 62.721(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.049(D) CA :: 44.606(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.765(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.597(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 I 0.19 C 0.15 L 0.03 D 0.01 C Shift Assignments>> C :: 176.124(D) CA :: 59.372(D) CB :: 39.883(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 :: 7.097(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 :: 119.404(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.16 Q 0.11 R 0.1 H 0.1 W 0.06 E 0.03 HN Overlap>> 1.K212 1.K212 C Shift Assignments>> C :: 174.759(D) CA :: 54.319(D) CB :: 32.659(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 :: 8.227(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 :: 126.440(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.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 C 0.23 K 0.19 H 0.07 R 0.07 W 0.03 E 0.01 Q 0.01 C Shift Assignments>> C :: 175.207(D) CA :: 54.093(D) CB :: 33.661(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 :: 8.665(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.733(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 M 0.21 E 0.18 Q 0.09 K 0.08 N 0.07 Y 0.03 F 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 174.767(D) CA :: 54.464(D) CB :: 35.480(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 :: 8.529(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.907(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 Q 0.16 C 0.14 H 0.11 K 0.09 W 0.09 E 0.07 R 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 175.066(D) CA :: 55.603(D) CB :: 27.528(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 :: 9.039(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 :: 127.673(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.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 G 0.25 R 0.2 D 0.08 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 174.556(D) CA :: 54.562(D) CB :: 44.192(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.820(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.765(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.18 D 0.18 L 0.16 C 0.09 K 0.08 N 0.04 I 0.02 C Shift Assignments>> C :: 175.734(D) CA :: 56.517(D) CB :: 40.629(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 :: 7.676(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 :: 116.713(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S155 1.S155 C Shift Assignments>> C :: 175.469(D) CA :: 56.787(D) CB :: 64.866(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.623(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.636(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 C 0.22 R 0.11 W 0.07 P 0.06 Q 0.04 L 0.03 E 0.03 H 0.02 K 0.02 C Shift Assignments>> C :: 178.106(D) CA :: 60.449(D) CB :: 27.051(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 :: 9.163(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.635(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 N 0.04 I 0.04 K 0.02 C Shift Assignments>> C :: 179.155(D) CA :: 56.801(D) CB :: 40.103(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 :: 8.372(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 :: 118.715(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 Q 0.1 H 0.1 R 0.09 I 0.06 M 0.02 V 0.01 C Shift Assignments>> C :: 180.762(D) CA :: 58.831(D) CB :: 29.445(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 :: 7.689(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 :: 120.593(D) Ave N Shift Values>> N :: 120.67(3.48) 1.C38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 P 0.39 C 0.16 V 0.03 C Shift Assignments>> C :: 175.636(D) CA :: 64.126(D) CB :: 25.495(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.859(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.949(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.29 I 0.02 C 0.01 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 180.696(D) CA :: 54.642(D) CB :: 16.761(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.944(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.660(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.14 R 0.12 E 0.12 H 0.1 K 0.09 M 0.07 Q 0.06 V 0.05 I 0.01 C Shift Assignments>> C :: 178.894(D) CA :: 58.731(D) CB :: 31.189(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 :: 7.246(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 :: 118.847(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 C 0.21 V 0.08 Y 0.03 F 0.02 C Shift Assignments>> CA :: 64.691(D) CB :: 36.931(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 :: 7.391(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.625(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.19 C 0.17 I 0.13 W 0.1 Q 0.1 L 0.08 H 0.06 E 0.06 K 0.06 C Shift Assignments>> C :: 177.687(D) CA :: 58.551(D) CB :: 27.329(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) 1.A43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.31 I 0.01 C 0.01 C Shift Assignments>> C :: 181.082(D) CA :: 54.419(D) CB :: 16.673(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.110(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.759(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.38 L 0.37 C 0.15 Q 0.02 H 0.01 W 0.01 I 0.01 C Shift Assignments>> CA :: 56.276(D) CB :: 25.021(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 :: 6.746(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 :: 118.249(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.I45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.47 V 0.29 C 0.21 C Shift Assignments>> C :: 177.689(D) CA :: 66.246(D) CB :: 36.187(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) 1.D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.18 I 0.09 D 0.05 N 0.04 E 0.03 L 0.03 M 0.01 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 179.079(D) CA :: 57.314(D) CB :: 38.597(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 :: 8.030(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 :: 119.508(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.13 K 0.12 I 0.12 Q 0.11 R 0.1 E 0.1 H 0.08 L 0.02 M 0.01 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 178.666(D) CA :: 58.826(D) CB :: 28.240(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 :: 7.365(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 :: 122.970(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 P 0.27 I 0.16 C 0.15 W 0.01 C Shift Assignments>> C :: 177.813(D) CA :: 65.344(D) CB :: 30.346(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.657(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 :: 124.166(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.24 C 0.13 I 0.1 C Shift Assignments>> C :: 179.421(D) CA :: 66.114(D) CB :: 30.692(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 :: 7.836(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.595(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S162 1.S162 C Shift Assignments>> CA :: 60.806(D) CB :: 62.426(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.874(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.499(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.15 R 0.14 Q 0.12 W 0.11 K 0.11 E 0.09 I 0.08 H 0.08 L 0.06 M 0.01 C Shift Assignments>> C :: 178.072(D) CA :: 58.105(D) CB :: 27.907(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.16 C 0.15 R 0.12 H 0.11 W 0.08 Q 0.07 E 0.06 V 0.01 C Shift Assignments>> C :: 176.700(D) CA :: 55.986(D) CB :: 32.266(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 :: 7.348(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 :: 117.633(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.927(D) CA :: 46.080(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.709(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.875(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.18 N 0.15 F 0.12 Y 0.1 C 0.07 K 0.04 C Shift Assignments>> C :: 176.972(D) CA :: 54.623(D) CB :: 40.524(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 :: 6.972(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 :: 116.824(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.21 D 0.17 C 0.11 L 0.11 N 0.09 I 0.03 C Shift Assignments>> C :: 175.952(D) CA :: 56.158(D) CB :: 39.701(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 :: 7.938(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.727(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 C 0.17 E 0.06 Y 0.06 M 0.05 F 0.04 D 0.04 C Shift Assignments>> C :: 177.159(D) CA :: 52.910(D) CB :: 37.167(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 :: 9.704(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 :: 120.811(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.15 I 0.14 K 0.12 E 0.1 Q 0.09 H 0.08 R 0.06 L 0.01 M 0.01 C Shift Assignments>> C :: 176.138(D) CA :: 59.305(D) CB :: 28.630(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 :: 8.533(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.417(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 C 0.12 M 0.12 W 0.11 Q 0.11 E 0.1 K 0.07 C Shift Assignments>> C :: 174.777(D) CA :: 54.938(D) CB :: 30.817(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 :: 8.392(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.201(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.501(D) CA :: 61.601(D) CB :: 69.244(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 :: 8.668(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 :: 126.455(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 C 0.22 P 0.21 W 0.07 K 0.03 R 0.03 E 0.02 H 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.643(D) CA :: 61.665(D) CB :: 31.913(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 :: 8.038(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.353(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 N 0.24 L 0.15 F 0.09 Y 0.08 C 0.06 K 0.02 C Shift Assignments>> C :: 175.762(D) CA :: 53.825(D) CB :: 40.281(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 :: 8.223(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 :: 124.235(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 R 0.13 W 0.12 K 0.12 M 0.11 H 0.11 E 0.1 Q 0.05 V 0.04 C Shift Assignments>> C :: 176.226(D) CA :: 58.141(D) CB :: 31.617(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 :: 8.068(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 :: 122.000(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.A65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 A 0.37 C 0.14 V 0.03 M 0.02 T 0.02 C Shift Assignments>> CA :: 54.897(D) CB :: 21.43(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.264(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.956(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.29 C 0.25 P 0.11 W 0.09 K 0.05 R 0.05 E 0.03 H 0.03 M 0.03 I 0.01 Q 0.01 C Shift Assignments>> C :: 174.381(D) CA :: 61.020(D) CB :: 32.032(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.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.31 L 0.29 R 0.16 D 0.12 C 0.04 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 173.926(D) CA :: 52.452(D) CB :: 43.832(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 :: 8.867(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 :: 130.759(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 W 0.12 C 0.12 Q 0.12 E 0.11 M 0.1 K 0.06 C Shift Assignments>> C :: 175.010(D) CA :: 55.361(D) CB :: 30.564(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 :: 8.215(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 :: 124.741(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.N69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> CA :: 50.064(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 :: 8.283(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 :: 129.100(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.39 D 0.13 C 0.13 Y 0.12 F 0.11 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 173.924(D) CA :: 54.301(D) CB :: 38.419(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) 1.F72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.2 D 0.15 L 0.15 C 0.1 K 0.07 I 0.03 N 0.03 C Shift Assignments>> C :: 172.314(D) CA :: 56.872(D) CB :: 40.582(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 :: 9.439(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 :: 123.321(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.19 F 0.12 N 0.11 Y 0.1 K 0.06 C 0.06 C Shift Assignments>> C :: 177.937(D) CA :: 54.756(D) CB :: 40.740(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 :: 8.104(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 :: 114.131(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.806(D) CA :: 46.730(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.690(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.209(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.19 C 0.17 K 0.16 H 0.07 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 175.608(D) CA :: 54.549(D) CB :: 33.389(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 :: 7.730(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 :: 118.163(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.773(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.001(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.954(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.36 N 0.23 L 0.17 F 0.07 C 0.05 Y 0.05 K 0.03 C Shift Assignments>> C :: 172.834(D) CA :: 53.100(D) CB :: 40.736(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) 1.T78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.099(D) CA :: 58.638(D) CB :: 70.243(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 :: 8.474(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 :: 110.601(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 F 0.18 C 0.18 N 0.15 D 0.08 E 0.05 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 175.055(D) CA :: 55.961(D) CB :: 38.260(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 :: 7.120(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 :: 110.807(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 174.967(D) CA :: 47.094(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.724(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.408(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> C :: 177.860(D) CA :: 52.136(D) CB :: 18.679(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.260(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.741(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 L 0.17 Q 0.14 C 0.12 H 0.09 K 0.08 W 0.08 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 176.962(D) CA :: 55.788(D) CB :: 27.549(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 :: 7.250(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 :: 115.302(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.26 F 0.1 L 0.1 Y 0.1 C 0.08 C Shift Assignments>> C :: 177.275(D) CA :: 54.027(D) CB :: 39.597(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 :: 7.448(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.781(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 C 0.14 Q 0.13 W 0.1 K 0.09 L 0.09 H 0.08 E 0.08 I 0.06 M 0.01 C Shift Assignments>> C :: 176.110(D) CA :: 57.607(D) CB :: 27.693(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 :: 8.254(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.130(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.2 C 0.17 K 0.16 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 174.214(D) CA :: 54.501(D) CB :: 33.464(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 :: 7.396(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 :: 118.272(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.15 R 0.13 K 0.12 W 0.12 C 0.11 E 0.1 M 0.05 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 176.634(D) CA :: 54.878(D) CB :: 29.566(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 :: 8.046(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 :: 120.594(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.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.740(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.085(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.946(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.27 V 0.25 C 0.21 I 0.11 W 0.07 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 178.820(D) CA :: 62.712(D) CB :: 30.568(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.G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.52 L 0.23 R 0.12 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.406(D) CA :: 44.513(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.485(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.051(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.398(D) CA :: 55.985(D) CB :: 28.953(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 :: 7.109(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 :: 116.742(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 I 0.17 W 0.12 R 0.11 K 0.09 Q 0.09 E 0.08 H 0.06 L 0.03 HN Overlap>> 1.T223 1.T223 C Shift Assignments>> C :: 177.240(D) CA :: 59.280(D) CB :: 27.968(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 :: 9.525(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 :: 119.997(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.25 Q 0.18 K 0.11 H 0.04 R 0.03 N 0.03 E 0.02 W 0.01 P 0.01 C Shift Assignments>> C :: 174.873(D) CA :: 52.580(D) CB :: 34.250(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 :: 7.714(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 :: 122.075(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.L93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.27 K 0.13 N 0.06 R 0.06 F 0.06 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.519(D) CA :: 53.547(D) CB :: 41.969(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 :: 7.974(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 :: 116.229(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.11 L 0.11 A 0.09 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.501(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 :: 8.147(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 :: 128.721(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.34 V 0.28 C 0.17 I 0.12 W 0.04 C Shift Assignments>> C :: 178.014(D) CA :: 63.528(D) CB :: 30.536(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.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.448(D) CA :: 44.938(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.718(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.350(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 D 0.21 K 0.18 F 0.13 Y 0.1 C 0.06 N 0.03 R 0.03 C Shift Assignments>> C :: 177.141(D) CA :: 55.698(D) CB :: 41.402(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 :: 7.645(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 :: 120.829(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 R 0.13 E 0.12 H 0.11 K 0.09 M 0.08 Q 0.07 V 0.04 I 0.01 C Shift Assignments>> C :: 175.792(D) CA :: 58.345(D) CB :: 31.074(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 :: 7.363(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 :: 110.353(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.26 D 0.14 K 0.08 F 0.05 C 0.04 Y 0.03 G 0.03 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 174.752(D) CA :: 54.867(D) CB :: 43.092(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 :: 7.452(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 :: 122.966(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 R 0.11 C 0.11 E 0.11 M 0.04 L 0.01 C Shift Assignments>> CA :: 55.194(D) CB :: 29.219(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 :: 8.610(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 :: 118.540(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.23 C 0.22 W 0.06 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 177.577(D) CA :: 61.802(D) CB :: 32.057(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.E104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 C 0.19 R 0.14 W 0.11 Q 0.08 K 0.07 E 0.06 H 0.05 L 0.04 C Shift Assignments>> C :: 179.154(D) CA :: 59.337(D) CB :: 27.581(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 :: 8.930(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 :: 125.882(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 R 0.2 I 0.17 L 0.09 W 0.08 Q 0.08 H 0.05 E 0.04 K 0.04 C Shift Assignments>> C :: 178.532(D) CA :: 58.938(D) CB :: 26.929(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 :: 8.151(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 :: 115.895(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 P 0.24 C 0.14 V 0.07 W 0.01 C Shift Assignments>> C :: 179.291(D) CA :: 65.292(D) CB :: 28.713(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 :: 6.511(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.477(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 C 0.2 W 0.13 K 0.09 R 0.08 E 0.07 Q 0.07 H 0.06 L 0.01 P 0.01 C Shift Assignments>> C :: 175.750(D) CA :: 59.882(D) CB :: 28.216(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 :: 6.941(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.380(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 177.572(D) CA :: 58.480(D) CB :: 28.828(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 :: 8.464(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 :: 116.123(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 D 0.22 K 0.19 F 0.1 Y 0.07 C 0.05 R 0.05 N 0.03 C Shift Assignments>> CA :: 55.339(D) CB :: 41.661(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 :: 8.747(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 :: 112.811(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.6 C 0.19 V 0.17 C Shift Assignments>> C :: 177.806(D) CA :: 66.540(D) CB :: 36.649 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) 1.Q112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 R 0.18 I 0.16 W 0.1 Q 0.08 L 0.07 E 0.06 H 0.05 K 0.05 C Shift Assignments>> C :: 177.875(D) CA :: 58.924(D) CB :: 27.276(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 :: 8.216(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 :: 116.715(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.14 R 0.13 H 0.12 Q 0.09 K 0.06 M 0.05 V 0.02 I 0.01 C Shift Assignments>> C :: 179.019(D) CA :: 58.219(D) CB :: 30.533(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 :: 6.487(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 :: 117.418(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.09 I 0.07 K 0.04 N 0.01 C Shift Assignments>> CA :: 57.711(D) CB :: 40.339(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 :: 7.438(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 :: 118.868(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.41 C 0.1 I 0.03 W 0.01 C Shift Assignments>> C :: 181.712(D) CA :: 64.830(D) CB :: 31.429(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) 1.E116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.12 W 0.12 I 0.12 Q 0.11 K 0.11 E 0.09 H 0.08 L 0.04 C Shift Assignments>> C :: 178.059(D) CA :: 58.664(D) CB :: 27.995(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 :: 8.598(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.389(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 L 0.2 Q 0.13 C 0.12 H 0.08 W 0.07 K 0.07 E 0.05 I 0.02 M 0.01 C Shift Assignments>> CA :: 55.751(D) CB :: 27.401(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 :: 7.371(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 :: 113.235(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.39 C 0.11 I 0.04 W 0.01 C Shift Assignments>> C :: 175.523(D) CA :: 64.727(D) CB :: 31.237(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) 1.I120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.24 D 0.15 C 0.12 L 0.09 N 0.07 I 0.04 C Shift Assignments>> CA :: 56.476(D) CB :: 39.612(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 :: 6.607(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 :: 108.705(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 C 0.24 P 0.12 W 0.1 R 0.05 E 0.04 K 0.04 H 0.03 I 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.585(D) CA :: 61.189(D) CB :: 31.495(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.E122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 C 0.12 W 0.11 R 0.11 H 0.11 E 0.1 L 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 177.686(D) CA :: 57.017(D) CB :: 28.292(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 :: 8.576(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.941(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.366(D) CA :: 45.264(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.954(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.212(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.23 I 0.17 C 0.13 K 0.09 L 0.04 D 0.01 C Shift Assignments>> C :: 175.292(D) CA :: 59.946(D) CB :: 41.006(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 :: 7.697(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 :: 122.293(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.45 V 0.36 C 0.12 W 0.02 I 0.02 C Shift Assignments>> C :: 176.936(D) CA :: 63.743(D) CB :: 31.719(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 :: 7.967(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 :: 115.204(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.12 C 0.09 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 174.083(D) CA :: 52.172(D) CB :: 38.472(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 :: 8.408(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 :: 123.623(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.001(D) CA :: 56.347(D) CB :: 64.047(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.027(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 :: 115.052(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 C 0.02 L 0.01 C Shift Assignments>> C :: 174.221(D) CA :: 49.597(D) CB :: 20.369(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.103(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.262(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 K 0.14 Q 0.14 V 0.11 M 0.11 E 0.04 W 0.03 R 0.03 H 0.03 I 0.01 Y 0.01 C Shift Assignments>> CA :: 59.082(D) CB :: 34.042(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 :: 8.963(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.383(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I130 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.772(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) 1.N131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 M 0.27 Q 0.16 K 0.09 N 0.04 H 0.03 P 0.03 R 0.02 E 0.02 W 0.01 C Shift Assignments>> C :: 173.616(D) CA :: 52.151(D) CB :: 34.346(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.891(D) 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 :: 124.079(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.28 K 0.1 R 0.09 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.524(D) CA :: 52.840(D) CB :: 42.262(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.051(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 :: 124.584(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 L 0.15 K 0.14 D 0.11 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 176.251(D) CA :: 57.320(D) CB :: 40.998(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 :: 9.807(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 :: 126.933(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 H 0.14 R 0.14 K 0.12 W 0.08 Q 0.05 E 0.05 C Shift Assignments>> CA :: 54.109(D) CB :: 31.877(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 :: 8.267(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 :: 119.628(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P135 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.786(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.G136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.686(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.270(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.165(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.32 F 0.25 Y 0.2 C 0.15 K 0.04 L 0.01 C Shift Assignments>> C :: 174.343(D) CA :: 61.353(D) CB :: 40.952(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) 1.V140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 P 0.22 C 0.21 I 0.21 W 0.06 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 173.263(D) CA :: 63.176(D) CB :: 30.091(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 :: 8.971(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 :: 129.115(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 170.825(D) CA :: 56.761(D) CB :: 63.978(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 5.995(S) 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 :: 118.064(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 R 0.15 K 0.12 L 0.12 C 0.11 H 0.11 W 0.09 E 0.07 M 0.01 I 0.01 C Shift Assignments>> C :: 170.450(D) CA :: 55.608(D) CB :: 27.986(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 :: 7.619(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 :: 116.001(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.28 K 0.09 Q 0.06 W 0.05 M 0.05 R 0.04 P 0.03 H 0.03 E 0.02 C Shift Assignments>> CA :: 60.497(D) CB :: 33.198(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 :: 8.842(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.981(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.4 C 0.1 C Shift Assignments>> C :: 178.916(D) CA :: 64.521(D) CB :: 32.386(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.I146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.16 Y 0.1 F 0.08 C Shift Assignments>> C :: 176.075(D) CA :: 62.994(D) CB :: 38.344(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 :: 9.053(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 :: 130.549(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 H 0.12 W 0.12 C 0.12 E 0.11 R 0.09 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 174.488(D) CA :: 56.654(D) CB :: 28.690(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 :: 8.257(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 :: 116.475(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.22 C 0.21 F 0.17 E 0.04 C Shift Assignments>> CA :: 60.322(D) CB :: 37.988(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 :: 6.299(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.892(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.21 L 0.2 Q 0.13 C 0.12 H 0.08 W 0.07 K 0.07 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 172.317(D) CA :: 55.730(D) CB :: 27.377(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) 1.R151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.38 L 0.35 C 0.16 Q 0.03 I 0.01 H 0.01 W 0.01 C Shift Assignments>> CA :: 56.494(D) CB :: 25.073(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 :: 7.991(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 :: 115.345(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.P152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.36 I 0.23 V 0.16 E 0.08 Y 0.06 F 0.03 K 0.01 M 0.01 C Shift Assignments>> C :: 174.448(D) CA :: 61.587(D) CB :: 35.706(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.I153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 F 0.23 Y 0.22 C 0.15 C Shift Assignments>> C :: 175.070(D) CA :: 61.171(D) CB :: 40.152(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 :: 8.322(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 :: 120.404(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 C 0.31 K 0.08 Q 0.06 M 0.04 W 0.04 P 0.03 R 0.03 H 0.02 I 0.01 E 0.01 C Shift Assignments>> C :: 173.296(D) CA :: 60.743(D) CB :: 33.474(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 :: 7.746(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.110(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.8 T 0.19 HN Overlap>> 1.S34 1.S34 C Shift Assignments>> C :: 173.655(D) CA :: 54.386(D) CB :: 67.013(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.638(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.552(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 C 0.28 K 0.09 W 0.06 P 0.05 M 0.04 R 0.04 Q 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 174.667(D) CA :: 60.635(D) CB :: 32.853(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 :: 9.098(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.341(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.970(D) CA :: 60.527(D) CB :: 65.223(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.136(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.363(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.25 F 0.16 K 0.15 L 0.12 Y 0.11 C 0.09 I 0.03 D 0.02 G 0.02 C Shift Assignments>> C :: 175.975(D) CA :: 58.908(D) CB :: 42.791(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 :: 9.348(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 :: 118.817(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 Y 0.22 I 0.17 F 0.15 E 0.14 M 0.02 C Shift Assignments>> C :: 176.404(D) CA :: 58.978(D) CB :: 37.372(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 :: 9.429(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 :: 115.430(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.821(D) CA :: 57.601(D) CB :: 64.438(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.720(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.592(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.23 L 0.16 F 0.07 Y 0.06 C 0.06 K 0.03 C Shift Assignments>> C :: 175.679(D) CA :: 53.355(D) CB :: 40.575(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 :: 8.428(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 :: 120.037(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S50 1.S50 C Shift Assignments>> C :: 174.932(D) CA :: 55.796(D) CB :: 62.831(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.895(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.464(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 173.540(D) CA :: 51.231(D) CB :: 20.176(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.203(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.863(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 L 0.23 R 0.06 D 0.04 C 0.03 F 0.01 HN Overlap>> 1.V191 1.V191 C Shift Assignments>> CA :: 53.363(D) CB :: 44.70(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 :: 9.039(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 :: 125.250(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.24 L 0.19 F 0.16 Y 0.13 K 0.09 C 0.07 N 0.06 I 0.01 C Shift Assignments>> C :: 176.921(D) CA :: 55.639(D) CB :: 40.814(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) 1.G167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.755(D) CA :: 46.664(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.794(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.342(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 Q 0.12 E 0.12 H 0.09 I 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 175.563(D) CA :: 58.508(D) CB :: 28.613(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.358(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.186(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.18 C 0.16 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 178.835(D) CA :: 56.385(D) CB :: 32.772(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 :: 8.263(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.840(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 F 0.19 L 0.17 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 175.127(D) CA :: 57.309(D) CB :: 41.463(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 :: 7.980(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 :: 120.077(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 M 0.15 C 0.13 W 0.1 K 0.09 Q 0.09 E 0.08 C Shift Assignments>> C :: 172.830(D) CA :: 54.613(D) CB :: 31.144(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 :: 8.877(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 :: 115.084(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.18 L 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> CA :: 57.428(D) CB :: 41.699(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 :: 8.127(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 :: 116.589(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.5 C 0.27 P 0.09 I 0.05 K 0.01 W 0.01 Q 0.01 C Shift Assignments>> C :: 176.613(D) CA :: 62.719(D) CB :: 34.130(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.I175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 C 0.25 Y 0.08 F 0.05 V 0.05 E 0.02 C Shift Assignments>> C :: 176.055(D) CA :: 62.690(D) CB :: 36.919(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 :: 8.227(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 :: 118.921(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.16 C 0.16 Q 0.13 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 173.744(D) CA :: 54.433(D) CB :: 32.822(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 :: 8.320(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 :: 126.568(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.V177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.19 K 0.12 W 0.09 R 0.07 M 0.06 H 0.05 E 0.05 Q 0.04 P 0.01 C Shift Assignments>> C :: 175.619(D) CA :: 59.859(D) CB :: 32.439(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 :: 8.369(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.073(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.495(D) CA :: 58.358(D) CB :: 63.333(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.115(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.421(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.14 C 0.13 W 0.1 R 0.09 E 0.08 L 0.06 M 0.03 C Shift Assignments>> CA :: 54.153(D) CB :: 28.649(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 :: 8.319(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.715(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P180 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V181 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L182 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S183 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L184 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.3 C 0.16 I 0.06 W 0.04 R 0.01 C Shift Assignments>> C :: 176.923(D) CA :: 63.204(D) CB :: 30.987(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.V186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.13 W 0.11 V 0.11 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.03 C Shift Assignments>> C :: 176.358(D) CA :: 59.169(D) CB :: 32.075(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 :: 8.399(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 :: 120.976(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 Q 0.12 C 0.12 W 0.12 E 0.11 M 0.1 K 0.06 C Shift Assignments>> C :: 176.042(D) CA :: 55.007(D) CB :: 30.486(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 :: 8.451(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 :: 128.064(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.R188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 Q 0.13 K 0.13 H 0.12 C 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 176.980(D) CA :: 57.447(D) CB :: 29.462(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 :: 8.541(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 :: 123.882(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.G189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.170(D) CA :: 45.926(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.121(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.768(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.541(D) CA :: 58.409(D) CB :: 64.454(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.154(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 :: 115.383(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.18 K 0.13 W 0.07 M 0.07 Q 0.07 R 0.06 H 0.05 E 0.03 P 0.01 HN Overlap>> 1.L164 1.L164 C Shift Assignments>> C :: 174.643(D) CA :: 59.733(D) CB :: 32.844(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 :: 9.053(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.173(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.005(D) CA :: 62.217(D) CB :: 69.479(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 :: 9.249(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 :: 124.471(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 C 0.27 P 0.09 W 0.07 K 0.07 R 0.04 M 0.03 H 0.03 E 0.02 Q 0.02 C Shift Assignments>> C :: 175.486(D) CA :: 60.960(D) CB :: 32.561(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 :: 9.330(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 :: 128.948(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.21 G 0.17 D 0.14 C 0.04 F 0.02 K 0.01 Y 0.01 N 0.01 C Shift Assignments>> C :: 175.345(D) CA :: 53.181(D) CB :: 43.654(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 :: 9.161(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 :: 127.055(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.873(D) CA :: 56.641(D) CB :: 65.652(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.318(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 :: 117.771(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.327(D) CA :: 46.053(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.986(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.413(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 C 0.17 Y 0.16 F 0.14 C Shift Assignments>> CA :: 61.761(D) CB :: 38.491(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 :: 8.910(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 :: 128.076(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A198 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A199 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.24 D 0.22 K 0.19 F 0.11 Y 0.08 C 0.05 R 0.04 N 0.03 C Shift Assignments>> C :: 177.524(D) CA :: 55.370(D) CB :: 41.617(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) 1.E201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 173.379(D) CA :: 55.263(D) CB :: 28.708(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 :: 7.871(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.690(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.27 C 0.13 I 0.11 L 0.07 K 0.05 D 0.04 C Shift Assignments>> C :: 171.998(D) CA :: 58.660(D) CB :: 40.467(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 :: 7.097(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 :: 117.715(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 59.893(D) CB :: 70.932(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 :: 7.377(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.240(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H204 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C205 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I206 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R207 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.32 C 0.14 I 0.08 W 0.02 C Shift Assignments>> C :: 179.600(D) CA :: 64.049(D) CB :: 30.775(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.Q209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.23 C 0.14 Q 0.1 K 0.07 H 0.06 W 0.05 E 0.03 I 0.03 C Shift Assignments>> C :: 175.981(D) CA :: 56.317(D) CB :: 26.690(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 :: 9.036(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 :: 113.873(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 N 0.25 L 0.13 F 0.11 Y 0.09 C 0.07 K 0.01 C Shift Assignments>> C :: 177.392(D) CA :: 54.124(D) CB :: 40.051(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 :: 7.643(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 :: 118.853(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.17 Q 0.15 M 0.13 V 0.08 R 0.06 W 0.05 H 0.05 E 0.02 C Shift Assignments>> C :: 175.411(D) CA :: 58.428(D) CB :: 33.410(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 :: 7.494(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 :: 127.543(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.18 C 0.16 R 0.11 H 0.1 Q 0.09 W 0.07 E 0.05 V 0.01 HN Overlap>> 1.R28 1.R28 C Shift Assignments>> C :: 175.821(D) CA :: 56.377(D) CB :: 32.507(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 :: 8.169(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.492(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.18 K 0.13 H 0.12 R 0.12 Q 0.07 W 0.06 E 0.03 C Shift Assignments>> C :: 172.802(D) CA :: 53.252(D) CB :: 32.356(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 :: 7.682(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 :: 117.317(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 Q 0.15 W 0.12 C 0.12 H 0.12 E 0.12 R 0.09 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 176.769(D) CA :: 56.972(D) CB :: 28.699(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 :: 8.315(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 :: 119.759(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.R215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.15 C 0.11 W 0.11 R 0.1 E 0.09 L 0.03 M 0.03 C Shift Assignments>> C :: 172.644(D) CA :: 54.815(D) CB :: 28.861(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 :: 8.517(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 :: 129.209(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.A216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.49 L 0.3 C 0.16 K 0.01 C Shift Assignments>> CA :: 49.966(D) CB :: 22.726(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.096(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.200(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 173.918(D) CA :: 58.336(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) 1.I218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 Y 0.25 F 0.22 C 0.17 C Shift Assignments>> C :: 174.162(D) CA :: 60.273(D) CB :: 38.880(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 :: 9.304(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 :: 126.747(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.28 C 0.27 Y 0.12 I 0.09 F 0.07 M 0.06 K 0.03 V 0.01 Q 0.01 C Shift Assignments>> C :: 175.769(D) CA :: 58.586(D) CB :: 36.313(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.553(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 :: 128.942(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.2 L 0.19 F 0.06 K 0.05 C 0.05 Y 0.04 C Shift Assignments>> C :: 174.321(D) CA :: 52.863(D) CB :: 41.038(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 :: 9.799(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 :: 131.543(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R221 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 C 0.17 E 0.07 Y 0.06 M 0.05 F 0.05 D 0.04 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> C :: 174.296(D) CA :: 53.210(D) CB :: 37.152(S) 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 :: 8.409(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 :: 118.198(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.K222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.21 C 0.2 K 0.14 H 0.04 R 0.04 E 0.02 W 0.02 N 0.01 C Shift Assignments>> C :: 177.585(D) CA :: 53.727(D) CB :: 34.006(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 :: 9.122(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 :: 124.712(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.E91 1.E91 C Shift Assignments>> C :: 174.990(D) CA :: 60.147(D) CB :: 68.606(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 :: 9.534(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.898(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 C 0.12 M 0.12 W 0.11 E 0.11 Q 0.1 K 0.08 C Shift Assignments>> C :: 178.944(D) CA :: 55.488(D) CB :: 30.923(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 :: 8.253(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 :: 121.368(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.L225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.21 L 0.13 D 0.11 C 0.1 K 0.09 I 0.04 N 0.01 C Shift Assignments>> CA :: 57.338(D) CB :: 40.687(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 :: 8.810(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.823(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.63 D 0.15 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 175.700(D) CA :: 51.831(D) CB :: 38.788(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) 1.A227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.06 C Shift Assignments>> CA :: 50.124(D) CB :: 18.360(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.072(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.266(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.28 P 0.26 C 0.21 W 0.07 I 0.05 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 175.334(D) CA :: 62.210(D) CB :: 31.086(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.R229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.17 K 0.13 H 0.12 R 0.12 Q 0.07 W 0.07 E 0.03 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> C :: 176.956(D) CA :: 53.356(D) CB :: 32.276(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 :: 8.128(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 :: 119.879(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.L230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 R 0.24 K 0.16 F 0.09 D 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> CA :: 56.516(D) CB :: 42.727(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 :: 7.858(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 :: 127.799(D) Ave N Shift Values>> N :: 121.86(3.9) 2.ZN1 Overall Status: Residue type ZN not supported. 3.AKG1 Overall Status: Residue type AKG not supported. 4.6MZ3 Overall Status: Residue type 6MZ not supported. 4.DG1 Overall Status: Residue type DG not supported. 4.DG2 Overall Status: Residue type DG not supported. 4.DC4 Overall Status: Residue type DC not supported. 4.DT5 Overall Status: Residue type DT not supported. ########################################################################### Overall Results: #Consistent: 27 #Clerical: 201 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 200 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 29 Shift Relative Order (SRO) Results: #Consistent: 230 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 556 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 171 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 172 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P4 C = 176.719(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8362e-01 1.P4 CA = 62.733(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.9449e-01 1.P4 CB = 31.107(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.2892e-01 1.E5 C = 176.421(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.1789e-01 1.E5 CA = 55.888(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9324e-01 1.E5 CB = 29.095(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.9474e-01 1.E5 H = 8.430(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6541e-01 1.E5 N = 121.859(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3260e-01 1.R6 C = 176.188(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1292e-01 1.R6 CA = 55.425(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.6040e-01 1.R6 CB = 30.351(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.4875e-01 1.R6 H = 8.261(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7254e-01 1.R6 N = 122.468(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.5036e-01 1.S7 C = 174.566(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.7495e-01 1.S7 CA = 57.845(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7251e-01 1.S7 CB = 63.408(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.9111e-01 1.S7 H = 8.458(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6288e-01 1.S7 N = 118.243(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7707e-01 1.D8 C = 176.879(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.8430e-01 1.D8 CA = 54.893(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2034e-01 1.D8 CB = 39.684(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.6035e-01 1.D8 H = 8.387(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9438e-01 1.D8 N = 122.699(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9554e-01 1.Y9 C = 177.154(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.7810e-01 1.Y9 CA = 59.844(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.9469e-01 1.Y9 CB = 37.582(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.2103e-01 1.Y9 H = 8.049(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.1046e-01 1.Y9 N = 121.019(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.0543e-01 1.E10 C = 178.327(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.5496e-01 1.E10 CA = 57.898(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8212e-01 1.E10 CB = 28.306(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.2183e-01 1.E10 H = 8.087(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8044e-01 1.E10 N = 120.829(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6356e-01 1.E11 C = 178.340(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.5094e-01 1.E11 CA = 58.065(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2150e-01 1.E11 CB = 27.973(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.3629e-01 1.E11 H = 8.176(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9408e-01 1.E11 N = 120.971(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3107e-01 1.Q12 C = 178.462(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.6977e-01 1.Q12 CA = 57.809(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.6261e-01 1.Q12 CB = 27.546(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.6637e-01 1.Q12 H = 8.115(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5875e-01 1.Q12 N = 119.895(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9889e-01 1.Q13 C = 178.099(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.5891e-01 1.Q13 CA = 57.778(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.7242e-01 1.Q13 CB = 27.468(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.4407e-01 1.Q13 H = 7.965(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.6559e-01 1.Q13 N = 120.349(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.9854e-01 1.L14 C = 179.556(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9499e-01 1.L14 CA = 57.161(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.6939e-01 1.L14 CB = 40.542(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.4700e-01 1.L14 H = 7.874(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8390e-01 1.L14 N = 121.545(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3563e-01 1.Q15 C = 178.639(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.3234e-01 1.Q15 CA = 57.976(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.1118e-01 1.Q15 CB = 27.322(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.0472e-01 1.Q15 H = 7.953(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5088e-01 1.Q15 N = 119.762(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7164e-01 1.K16 C = 178.541(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.4186e-01 1.K16 CA = 59.151(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1709e-01 1.K16 CB = 31.320(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.0889e-01 1.K16 H = 7.852(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7321e-01 1.K16 N = 121.645(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7459e-01 1.E17 C = 179.215(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.2914e-01 1.E17 CA = 58.416(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0000e-01 1.E17 CB = 27.792(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.9721e-01 1.E17 H = 7.984(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5758e-01 1.E17 N = 119.571(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5215e-01 1.E18 C = 178.634(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.6567e-01 1.E18 CA = 58.786(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8303e-01 1.E18 CB = 27.890(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.1774e-01 1.E18 H = 7.946(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1515e-01 1.E18 N = 120.574(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7799e-01 1.E19 CA = 57.499(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.3175e-01 1.E19 CB = 28.280(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.1451e-01 1.E19 H = 8.063(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5088e-01 1.E19 N = 121.192(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8076e-01 1.A20 C = 179.008(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.5164e-01 1.A20 CA = 53.252(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.5489e-01 1.A20 CB = 17.546(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2371e-01 1.R21 C = 179.527(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.2467e-01 1.R21 CA = 58.090(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.6771e-01 1.R21 CB = 29.210(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.1553e-01 1.R21 H = 7.723(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.9669e-01 1.R21 N = 118.485(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.2930e-01 1.K22 CA = 59.107(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2686e-01 1.K22 CB = 29.668(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9442e-02 1.K22 H = 7.367(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.7017e-01 1.K22 N = 120.709(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2793e-01 1.V23 C = 177.767(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5848e-01 1.V23 CA = 66.592(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5150e-01 1.V23 CB = 30.007(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2820e-01 1.K24 CA = 59.414(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6271e-01 1.K24 CB = 31.128(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.5045e-01 1.K24 H = 7.957(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.9777e-01 1.K24 N = 117.392(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3190e-01 1.S25 C = 174.824(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0559e-01 1.S25 CA = 60.637(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5440e-01 1.S25 CB = 62.721(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.6597e-01 1.G26 C = 172.049(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.3274e-01 1.G26 CA = 44.606(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7874e-01 1.G26 H = 7.765(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8472e-01 1.G26 N = 110.597(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1069e-01 1.I27 C = 176.124(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8652e-01 1.I27 CA = 59.372(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.0368e-01 1.I27 CB = 39.883(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.3506e-01 1.I27 H = 7.097(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.1911e-02 1.I27 N = 119.404(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3096e-01 1.R28 C = 174.759(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.1605e-01 1.R28 CA = 54.319(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8867e-01 1.R28 CB = 32.659(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.8440e-01 1.R28 H = 8.227(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.8300e-01 1.R28 N = 126.440(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.2537e-01 1.Q29 C = 175.207(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.7164e-01 1.Q29 CA = 54.093(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4708e-01 1.Q29 CB = 33.661(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.4026e-02 1.Q29 H = 8.665(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.5071e-01 1.Q29 N = 122.733(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.2969e-01 1.M30 C = 174.767(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.9899e-01 1.M30 CA = 54.464(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.6044e-01 1.M30 CB = 35.480(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.6631e-01 1.M30 H = 8.529(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5391e-01 1.M30 N = 119.907(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.5912e-01 1.R31 C = 175.066(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.0793e-01 1.R31 CA = 55.603(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.1342e-01 1.R31 CB = 27.528(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.3037e-02 1.R31 H = 9.039(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.9025e-01 1.R31 N = 127.673(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1809e-02 1.L32 C = 174.556(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1896e-01 1.L32 CA = 54.562(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.1939e-01 1.L32 CB = 44.192(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.1680e-01 1.L32 H = 6.820(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0065e-02 1.L32 N = 122.765(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1650e-01 1.F33 C = 175.734(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.7462e-01 1.F33 CA = 56.517(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.4307e-01 1.F33 CB = 40.629(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.5980e-01 1.F33 H = 7.676(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4211e-01 1.F33 N = 116.713(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.7131e-01 1.S34 C = 175.469(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.2159e-01 1.S34 CA = 56.787(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5040e-01 1.S34 CB = 64.866(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.7136e-01 1.S34 H = 9.623(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2830e-02 1.S34 N = 122.636(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0968e-02 1.Q35 C = 178.106(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.5704e-01 1.Q35 CA = 60.449(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.9891e-02 1.Q35 CB = 27.051(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.3988e-01 1.Q35 H = 9.163(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.0997e-01 1.Q35 N = 122.635(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4576e-01 1.D36 C = 179.155(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.1542e-01 1.D36 CA = 56.801(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.9839e-01 1.D36 CB = 40.103(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.3149e-01 1.D36 H = 8.372(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1487e-01 1.D36 N = 118.715(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1616e-01 1.E37 C = 180.762(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.5945e-02 1.E37 CA = 58.831(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6970e-01 1.E37 CB = 29.445(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4254e-01 1.E37 H = 7.689(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7728e-01 1.E37 N = 120.593(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8235e-01 1.C38 C = 175.636(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.4034e-01 1.C38 CA = 64.126(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.0196e-02 1.C38 CB = 25.495(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.4447e-01 1.C38 H = 8.859(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.8393e-01 1.C38 N = 117.949(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.3218e-01 1.A39 C = 180.696(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6520e-01 1.A39 CA = 54.642(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.4810e-01 1.A39 CB = 16.761(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1909e-01 1.A39 H = 7.944(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6962e-01 1.A39 N = 121.660(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5740e-01 1.K40 C = 178.894(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.5974e-01 1.K40 CA = 58.731(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.1820e-01 1.K40 CB = 31.189(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.6842e-01 1.K40 H = 7.246(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.1564e-01 1.K40 N = 118.847(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5898e-01 1.I41 CA = 64.691(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5030e-01 1.I41 CB = 36.931(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.0030e-01 1.I41 H = 7.391(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9109e-01 1.I41 N = 121.625(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.6925e-01 1.E42 C = 177.687(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.7523e-01 1.E42 CA = 58.551(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5586e-01 1.E42 CB = 27.329(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1906e-01 1.A43 C = 181.082(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.1664e-01 1.A43 CA = 54.419(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1831e-01 1.A43 CB = 16.673(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.0158e-01 1.A43 H = 7.110(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9268e-02 1.A43 N = 119.759(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2684e-01 1.R44 CA = 56.276(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3066e-01 1.R44 CB = 25.021(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.9139e-03 1.R44 H = 6.746(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.4318e-02 1.R44 N = 118.249(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.8818e-01 1.I45 C = 177.689(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.3816e-01 1.I45 CA = 66.246(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3657e-02 1.I45 CB = 36.187(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.2651e-01 1.D46 C = 179.079(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.2580e-01 1.D46 CA = 57.314(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.9615e-01 1.D46 CB = 38.597(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5876e-01 1.D46 H = 8.030(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2927e-01 1.D46 N = 119.508(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6734e-01 1.E47 C = 178.666(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5704e-01 1.E47 CA = 58.826(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7117e-01 1.E47 CB = 28.240(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0345e-01 1.E47 H = 7.365(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0192e-01 1.E47 N = 122.970(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.0866e-01 1.V48 C = 177.813(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.4841e-01 1.V48 CA = 65.344(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.1833e-01 1.V48 CB = 30.346(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.8291e-01 1.V48 H = 7.657(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4477e-01 1.V48 N = 124.166(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0508e-01 1.V49 C = 179.421(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5443e-02 1.V49 CA = 66.114(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0511e-01 1.V49 CB = 30.692(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5489e-01 1.V49 H = 7.836(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9802e-01 1.V49 N = 119.595(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3362e-01 1.S50 CA = 60.806(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1358e-01 1.S50 CB = 62.426(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.5321e-01 1.S50 H = 7.874(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9137e-01 1.S50 N = 114.499(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1288e-01 1.E53 C = 178.072(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.3762e-01 1.E53 CA = 58.105(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0722e-01 1.E53 CB = 27.907(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.2145e-01 1.K54 C = 176.700(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7607e-01 1.K54 CA = 55.986(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.6125e-01 1.K54 CB = 32.266(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.6847e-01 1.K54 H = 7.348(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6052e-01 1.K54 N = 117.633(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6474e-01 1.G55 C = 175.927(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.7389e-01 1.G55 CA = 46.080(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8591e-01 1.G55 H = 7.709(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3938e-01 1.G55 N = 107.875(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.4277e-01 1.L56 C = 176.972(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9275e-01 1.L56 CA = 54.623(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3973e-01 1.L56 CB = 40.524(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.4211e-01 1.L56 H = 6.972(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2943e-02 1.L56 N = 116.824(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9661e-01 1.Y57 C = 175.952(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.8148e-01 1.Y57 CA = 56.158(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.3207e-01 1.Y57 CB = 39.701(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.5999e-01 1.Y57 H = 7.938(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.0077e-01 1.Y57 N = 118.727(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.6945e-01 1.N58 C = 177.159(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.9128e-01 1.N58 CA = 52.910(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.3754e-01 1.N58 CB = 37.167(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.6749e-01 1.N58 H = 9.704(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.0382e-02 1.N58 N = 120.811(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.4068e-01 1.E59 C = 176.138(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.0737e-01 1.E59 CA = 59.305(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.4223e-01 1.E59 CB = 28.630(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2236e-01 1.E59 H = 8.533(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3080e-01 1.E59 N = 121.417(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3004e-01 1.H60 C = 174.777(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.1025e-01 1.H60 CA = 54.938(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.9344e-01 1.H60 CB = 30.817(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.8044e-01 1.H60 H = 8.392(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.2312e-01 1.H60 N = 119.201(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.0270e-01 1.T61 C = 174.501(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.8232e-01 1.T61 CA = 61.601(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1111e-01 1.T61 CB = 69.244(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6558e-01 1.T61 H = 8.668(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8999e-01 1.T61 N = 126.455(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.0171e-02 1.V62 C = 175.643(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.9034e-01 1.V62 CA = 61.665(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7299e-01 1.V62 CB = 31.913(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.4808e-01 1.V62 H = 8.038(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0683e-01 1.V62 N = 122.353(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8933e-01 1.D63 C = 175.762(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.1543e-01 1.D63 CA = 53.825(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.7003e-01 1.D63 CB = 40.281(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.1157e-01 1.D63 H = 8.223(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8076e-01 1.D63 N = 124.235(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.5302e-01 1.R64 C = 176.226(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.2778e-01 1.R64 CA = 58.141(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.5284e-01 1.R64 CB = 31.617(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.1631e-01 1.R64 H = 8.068(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7797e-01 1.R64 N = 122.000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4436e-01 1.A65 CA = 54.897(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7488e-01 1.A65 CB = 21.43(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8603e-01 1.A65 H = 8.264(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1505e-01 1.A65 N = 127.956(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8187e-01 1.P66 C = 174.381(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.1668e-01 1.P66 CA = 61.020(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.2858e-01 1.P66 CB = 32.032(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7742e-01 1.L67 C = 173.926(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2175e-01 1.L67 CA = 52.452(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3693e-01 1.L67 CB = 43.832(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1819e-01 1.L67 H = 8.867(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2709e-01 1.L67 N = 130.759(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2501e-02 1.R68 C = 175.010(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.9041e-01 1.R68 CA = 55.361(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4189e-01 1.R68 CB = 30.564(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4076e-01 1.R68 H = 8.215(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6731e-01 1.R68 N = 124.741(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.8420e-01 1.N69 CA = 50.064(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.4467e-02 1.N69 H = 8.283(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2791e-01 1.N69 N = 129.100(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.1617e-02 1.Y71 C = 173.924(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.5826e-01 1.Y71 CA = 54.301(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.2713e-01 1.Y71 CB = 38.419(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.7658e-01 1.F72 C = 172.314(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.1857e-01 1.F72 CA = 56.872(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.3833e-01 1.F72 CB = 40.582(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.7698e-01 1.F72 H = 9.439(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.3397e-01 1.F72 N = 123.321(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.9218e-01 1.F73 C = 177.937(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.0593e-01 1.F73 CA = 54.756(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.9588e-01 1.F73 CB = 40.740(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1971e-01 1.F73 H = 8.104(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2217e-01 1.F73 N = 114.131(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.3060e-01 1.G74 C = 174.806(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.1857e-01 1.G74 CA = 46.730(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0308e-01 1.G74 H = 9.690(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6411e-02 1.G74 N = 115.209(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5235e-01 1.E75 C = 175.608(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1752e-01 1.E75 CA = 54.549(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.8489e-01 1.E75 CB = 33.389(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.9468e-02 1.E75 H = 7.730(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0918e-01 1.E75 N = 118.163(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.7128e-01 1.G76 CA = 43.773(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3925e-01 1.G76 H = 9.001(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0193e-01 1.G76 N = 107.954(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5747e-01 1.Y77 C = 172.834(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.9724e-01 1.Y77 CA = 53.100(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.5072e-02 1.Y77 CB = 40.736(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.1211e-01 1.T78 C = 173.099(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.1293e-01 1.T78 CA = 58.638(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6666e-01 1.T78 CB = 70.243(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.5297e-01 1.T78 H = 8.474(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.0586e-01 1.T78 N = 110.601(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.1033e-01 1.Y79 C = 175.055(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.6236e-01 1.Y79 CA = 55.961(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.8751e-01 1.Y79 CB = 38.260(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.2361e-01 1.Y79 H = 7.120(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.0021e-01 1.Y79 N = 110.807(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.0744e-02 1.G80 C = 174.967(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5955e-01 1.G80 CA = 47.094(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9309e-01 1.G80 H = 8.724(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4441e-01 1.G80 N = 109.408(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4602e-01 1.A81 C = 177.860(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5507e-01 1.A81 CA = 52.136(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1211e-01 1.A81 CB = 18.679(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5647e-01 1.A81 H = 9.260(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7284e-02 1.A81 N = 127.741(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0256e-01 1.Q82 C = 176.962(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.3811e-01 1.Q82 CA = 55.788(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.1480e-01 1.Q82 CB = 27.549(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.6724e-01 1.Q82 H = 7.250(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.0016e-01 1.Q82 N = 115.302(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0251e-01 1.L83 C = 177.275(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.8555e-01 1.L83 CA = 54.027(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5453e-01 1.L83 CB = 39.597(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4900e-01 1.L83 H = 7.448(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2895e-01 1.L83 N = 119.781(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9398e-01 1.Q84 C = 176.110(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.1831e-01 1.Q84 CA = 57.607(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.2797e-01 1.Q84 CB = 27.693(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1078e-01 1.Q84 H = 8.254(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.5405e-01 1.Q84 N = 122.130(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.3380e-01 1.K85 C = 174.214(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.2513e-01 1.K85 CA = 54.501(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6563e-01 1.K85 CB = 33.464(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.0495e-01 1.K85 H = 7.396(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8572e-01 1.K85 N = 118.272(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.6120e-01 1.R86 C = 176.634(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1214e-01 1.R86 CA = 54.878(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.1276e-01 1.R86 CB = 29.566(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.3547e-01 1.R86 H = 8.046(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5046e-01 1.R86 N = 120.594(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5536e-01 1.G87 CA = 43.740(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2956e-01 1.G87 H = 8.085(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0623e-01 1.G87 N = 109.946(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4315e-01 1.P88 C = 178.820(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.7042e-01 1.P88 CA = 62.712(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.8432e-01 1.P88 CB = 30.568(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.7728e-01 1.G89 C = 175.406(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.1392e-01 1.G89 CA = 44.513(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.3222e-01 1.G89 H = 9.485(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.5581e-02 1.G89 N = 112.051(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3839e-01 1.Q90 C = 176.398(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.6401e-01 1.Q90 CA = 55.985(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8457e-01 1.Q90 CB = 28.953(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.9639e-01 1.Q90 H = 7.109(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.9694e-02 1.Q90 N = 116.742(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8188e-01 1.E91 C = 177.240(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4951e-01 1.E91 CA = 59.280(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.4835e-01 1.E91 CB = 27.968(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.3514e-01 1.E91 H = 9.525(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2824e-02 1.E91 N = 119.997(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4665e-01 1.R92 C = 174.873(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.4896e-01 1.R92 CA = 52.580(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.9701e-02 1.R92 CB = 34.250(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.2393e-02 1.R92 H = 7.714(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8853e-01 1.R92 N = 122.075(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.2899e-01 1.L93 C = 176.519(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1198e-01 1.L93 CA = 53.547(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3043e-01 1.L93 CB = 41.969(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.5607e-01 1.L93 H = 7.974(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9369e-01 1.L93 N = 116.229(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4878e-01 1.Y94 CA = 54.501(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.4823e-01 1.Y94 H = 8.147(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1267e-01 1.Y94 N = 128.721(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.0865e-02 1.P96 C = 178.014(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.0254e-01 1.P96 CA = 63.528(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9636e-01 1.P96 CB = 30.536(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.6547e-01 1.G97 C = 174.448(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.5850e-01 1.G97 CA = 44.938(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5849e-01 1.G97 H = 8.718(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5056e-01 1.G97 N = 113.350(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4165e-01 1.D98 C = 177.141(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.7198e-01 1.D98 CA = 55.698(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.1951e-01 1.D98 CB = 41.402(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.4728e-01 1.D98 H = 7.645(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5157e-01 1.D98 N = 120.829(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6301e-01 1.V99 C = 175.792(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.2787e-01 1.V99 CA = 58.345(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4725e-01 1.V99 CB = 31.074(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5489e-01 1.V99 H = 7.363(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6649e-01 1.V99 N = 110.353(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.7502e-02 1.D100 C = 174.752(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4634e-01 1.D100 CA = 54.867(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3052e-01 1.D100 CB = 43.092(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7212e-01 1.D100 H = 7.452(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3906e-01 1.D100 N = 122.966(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.4851e-01 1.E101 CA = 55.194(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0905e-01 1.E101 CB = 29.219(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4560e-01 1.E101 H = 8.610(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3509e-01 1.E101 N = 118.540(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4049e-01 1.P103 C = 177.577(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.8391e-01 1.P103 CA = 61.802(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.1477e-01 1.P103 CB = 32.057(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6075e-01 1.E104 C = 179.154(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.4149e-01 1.E104 CA = 59.337(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3451e-01 1.E104 CB = 27.581(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5789e-01 1.E104 H = 8.930(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0918e-01 1.E104 N = 125.882(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3421e-01 1.W105 C = 178.532(D), Expected = 176.12, Std = 2.0100, ChiSquare = 2.3014e-01 1.W105 CA = 58.938(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.2035e-01 1.W105 CB = 26.929(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.2532e-01 1.W105 H = 8.151(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.6033e-01 1.W105 N = 115.895(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.6637e-01 1.V106 C = 179.291(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.3347e-02 1.V106 CA = 65.292(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2722e-01 1.V106 CB = 28.713(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.4824e-02 1.V106 H = 6.511(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9256e-03 1.V106 N = 123.477(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0672e-01 1.H107 C = 175.750(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.9964e-01 1.H107 CA = 59.882(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.4556e-01 1.H107 CB = 28.216(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.2818e-01 1.H107 H = 6.941(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.6095e-02 1.H107 N = 119.380(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3823e-01 1.Q108 C = 177.572(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.1752e-01 1.Q108 CA = 58.480(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7211e-01 1.Q108 CB = 28.828(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.4234e-01 1.Q108 H = 8.464(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.7920e-01 1.Q108 N = 116.123(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9538e-01 1.L109 CA = 55.339(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9504e-01 1.L109 CB = 41.661(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2993e-01 1.L109 H = 8.747(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2639e-01 1.L109 N = 112.811(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0327e-02 1.I111 C = 177.806(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.0832e-01 1.I111 CA = 66.540(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.5834e-02 1.Q112 C = 177.875(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.2223e-01 1.Q112 CA = 58.924(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7133e-01 1.Q112 CB = 27.276(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.9296e-01 1.Q112 H = 8.216(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9459e-01 1.Q112 N = 116.715(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.7781e-01 1.K113 C = 179.019(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.3424e-01 1.K113 CA = 58.219(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.6406e-01 1.K113 CB = 30.533(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.0481e-01 1.K113 H = 6.487(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5350e-03 1.K113 N = 117.418(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3535e-01 1.L114 CA = 57.711(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2625e-01 1.L114 CB = 40.339(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9445e-01 1.L114 H = 7.438(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2305e-01 1.L114 N = 118.868(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4298e-01 1.V115 C = 181.712(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3445e-03 1.V115 CA = 64.830(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1325e-01 1.V115 CB = 31.429(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.6734e-01 1.E116 C = 178.059(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.4203e-01 1.E116 CA = 58.664(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2018e-01 1.E116 CB = 27.995(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4139e-01 1.E116 H = 8.598(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4966e-01 1.E116 N = 123.389(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3461e-01 1.H117 CA = 55.751(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.3921e-01 1.H117 CB = 27.401(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.7022e-01 1.H117 H = 7.371(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.0127e-01 1.H117 N = 113.235(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.0658e-01 1.V119 C = 175.523(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.5928e-01 1.V119 CA = 64.727(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.3412e-01 1.V119 CB = 31.237(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.0424e-01 1.I120 CA = 56.476(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.5407e-02 1.I120 CB = 39.612(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.2687e-01 1.I120 H = 6.607(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3882e-02 1.I120 N = 108.705(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.8812e-03 1.P121 C = 176.585(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.1299e-01 1.P121 CA = 61.189(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.5897e-01 1.P121 CB = 31.495(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6353e-01 1.E122 C = 177.686(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.7561e-01 1.E122 CA = 57.017(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.8473e-01 1.E122 CB = 28.292(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.1787e-01 1.E122 H = 8.576(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7672e-01 1.E122 N = 121.941(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1494e-01 1.G123 C = 173.366(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8863e-01 1.G123 CA = 45.264(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4883e-01 1.G123 H = 8.954(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3706e-01 1.G123 N = 115.212(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5213e-01 1.F124 C = 175.292(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.4871e-01 1.F124 CA = 59.946(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6780e-01 1.F124 CB = 41.006(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.2688e-01 1.F124 H = 7.697(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.5714e-01 1.F124 N = 122.293(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5928e-01 1.V125 C = 176.936(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.8854e-01 1.V125 CA = 63.743(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.6130e-01 1.V125 CB = 31.719(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.7221e-01 1.V125 H = 7.967(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2974e-01 1.V125 N = 115.204(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.9105e-01 1.N126 C = 174.083(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.0725e-01 1.N126 CA = 52.172(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.6682e-01 1.N126 CB = 38.472(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.9736e-01 1.N126 H = 8.408(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1405e-01 1.N126 N = 123.623(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.4421e-01 1.S127 C = 172.001(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.2784e-01 1.S127 CA = 56.347(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.5164e-01 1.S127 CB = 64.047(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6746e-01 1.S127 H = 8.027(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.6806e-01 1.S127 N = 115.052(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.2719e-01 1.A128 C = 174.221(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8512e-02 1.A128 CA = 49.597(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3552e-02 1.A128 CB = 20.369(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5771e-01 1.A128 H = 9.103(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3232e-01 1.A128 N = 131.262(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.3273e-02 1.V129 CA = 59.082(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3341e-01 1.V129 CB = 34.042(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.6358e-01 1.V129 H = 8.963(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1515e-01 1.V129 N = 122.383(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8425e-01 1.I130 C = 173.772(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.7912e-01 1.N131 C = 173.616(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.5547e-01 1.N131 CA = 52.151(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.6001e-01 1.N131 CB = 34.346(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.0158e-02 1.N131 H = 7.891(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.7603e-01 1.N131 N = 124.079(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.0137e-01 1.D132 C = 175.524(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1667e-01 1.D132 CA = 52.840(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6212e-01 1.D132 CB = 42.262(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.9361e-01 1.D132 H = 9.051(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.0140e-01 1.D132 N = 124.584(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.0812e-01 1.Y133 C = 176.251(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.6891e-01 1.Y133 CA = 57.320(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.4692e-01 1.Y133 CB = 40.998(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.3725e-01 1.Y133 H = 9.807(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.1651e-02 1.Y133 N = 126.933(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.2678e-01 1.Q134 CA = 54.109(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5014e-01 1.Q134 CB = 31.877(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.3984e-01 1.Q134 H = 8.267(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.3651e-01 1.Q134 N = 119.628(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4198e-01 1.P135 C = 176.786(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8098e-01 1.G136 CA = 44.686(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2023e-01 1.G136 H = 8.270(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G136 N = 110.165(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9822e-01 1.I139 C = 174.343(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3251e-01 1.I139 CA = 61.353(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.2360e-01 1.I139 CB = 40.952(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5035e-01 1.V140 C = 173.263(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.1478e-01 1.V140 CA = 63.176(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1044e-01 1.V140 CB = 30.091(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.4040e-01 1.V140 H = 8.971(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0943e-01 1.V140 N = 129.115(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8985e-02 1.S141 C = 170.825(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.7356e-02 1.S141 CA = 56.761(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4396e-01 1.S141 CB = 63.978(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.0427e-01 1.S141 H = 5.995(S), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0756e-04 1.S141 N = 118.064(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1228e-01 1.H142 C = 170.450(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.4828e-02 1.H142 CA = 55.608(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.9299e-01 1.H142 CB = 27.986(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.7620e-01 1.H142 H = 7.619(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.6112e-01 1.H142 N = 116.001(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.5640e-01 1.V143 CA = 60.497(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8589e-01 1.V143 CB = 33.198(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9374e-01 1.V143 H = 8.842(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.1001e-01 1.V143 N = 121.981(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5304e-01 1.P145 C = 178.916(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.5145e-01 1.P145 CA = 64.521(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.3330e-01 1.P145 CB = 32.386(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.4966e-01 1.I146 C = 176.075(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.0671e-01 1.I146 CA = 62.994(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.0556e-01 1.I146 CB = 38.344(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.8741e-01 1.I146 H = 9.053(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.5564e-01 1.I146 N = 130.549(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.3704e-02 1.H147 C = 174.488(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.9890e-01 1.H147 CA = 56.654(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.5374e-01 1.H147 CB = 28.690(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.5398e-01 1.H147 H = 8.257(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.8006e-01 1.H147 N = 116.475(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.2154e-01 1.I148 CA = 60.322(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.3080e-01 1.I148 CB = 37.988(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5062e-01 1.I148 H = 6.299(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5770e-03 1.I148 N = 115.892(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9328e-01 1.E150 C = 172.317(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9550e-02 1.E150 CA = 55.730(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4680e-01 1.E150 CB = 27.377(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.2582e-01 1.R151 CA = 56.494(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0489e-01 1.R151 CB = 25.073(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.1060e-03 1.R151 H = 7.991(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.8313e-01 1.R151 N = 115.345(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.3825e-01 1.P152 C = 174.448(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.2738e-01 1.P152 CA = 61.587(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.5150e-01 1.P152 CB = 35.706(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.0839e-03 1.I153 C = 175.070(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.8456e-01 1.I153 CA = 61.171(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.6988e-01 1.I153 CB = 40.152(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.5117e-01 1.I153 H = 8.322(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.5075e-01 1.I153 N = 120.404(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0512e-01 1.V154 C = 173.296(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.2127e-01 1.V154 CA = 60.743(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4131e-01 1.V154 CB = 33.474(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.7767e-01 1.V154 H = 7.746(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.1683e-01 1.V154 N = 127.110(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.8852e-01 1.S155 C = 173.655(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.7477e-01 1.S155 CA = 54.386(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6285e-02 1.S155 CB = 67.013(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9935e-02 1.S155 H = 9.638(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1352e-02 1.S155 N = 122.552(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.4779e-02 1.V156 C = 174.667(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.1596e-01 1.V156 CA = 60.635(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.1660e-01 1.V156 CB = 32.853(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4522e-01 1.V156 H = 9.098(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2783e-01 1.V156 N = 123.341(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2782e-01 1.S157 C = 171.970(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.2339e-01 1.S157 CA = 60.527(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.8269e-01 1.S157 CB = 65.223(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.3631e-01 1.S157 H = 7.136(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2503e-02 1.S157 N = 123.363(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.4197e-02 1.F158 C = 175.975(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.8033e-01 1.F158 CA = 58.908(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4732e-01 1.F158 CB = 42.791(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.8018e-01 1.F158 H = 9.348(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.6999e-01 1.F158 N = 118.817(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9604e-01 1.F159 C = 176.404(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.2097e-01 1.F159 CA = 58.978(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2678e-01 1.F159 CB = 37.372(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.1034e-01 1.F159 H = 9.429(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.3762e-01 1.F159 N = 115.430(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.2977e-01 1.S160 C = 171.821(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.0367e-01 1.S160 CA = 57.601(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8880e-01 1.S160 CB = 64.438(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.6641e-01 1.S160 H = 8.720(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5581e-01 1.S160 N = 114.592(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3155e-01 1.D161 C = 175.679(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8034e-01 1.D161 CA = 53.355(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.1077e-01 1.D161 CB = 40.575(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5066e-01 1.D161 H = 8.428(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3878e-01 1.D161 N = 120.037(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7382e-01 1.S162 C = 174.932(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.5606e-01 1.S162 CA = 55.796(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5778e-01 1.S162 CB = 62.831(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1264e-01 1.S162 H = 7.895(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1405e-01 1.S162 N = 114.464(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.0592e-01 1.A163 C = 173.540(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.8629e-02 1.A163 CA = 51.231(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3498e-01 1.A163 CB = 20.176(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2402e-01 1.A163 H = 9.203(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4590e-02 1.A163 N = 127.863(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.9062e-01 1.L164 CA = 53.363(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8932e-01 1.L164 CB = 44.70(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.0363e-01 1.L164 H = 9.039(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1327e-01 1.L164 N = 125.250(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8472e-01 1.F166 C = 176.921(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.5069e-01 1.F166 CA = 55.639(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4221e-01 1.F166 CB = 40.814(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.9339e-01 1.G167 C = 175.755(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.1603e-01 1.G167 CA = 46.664(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2679e-01 1.G167 H = 8.794(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7532e-01 1.G167 N = 112.342(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8992e-01 1.C168 C = 175.563(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.6713e-01 1.C168 CA = 58.508(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.5019e-01 1.C168 CB = 28.613(D), Expected = 32.49, Std = 6.0100, ChiSquare = 5.1887e-01 1.C168 H = 8.358(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.6191e-01 1.C168 N = 116.186(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.9055e-01 1.K169 C = 178.835(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.7242e-01 1.K169 CA = 56.385(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9732e-01 1.K169 CB = 32.772(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9193e-01 1.K169 H = 8.263(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0316e-01 1.K169 N = 126.840(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2459e-01 1.F170 C = 175.127(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8295e-01 1.F170 CA = 57.309(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.6418e-01 1.F170 CB = 41.463(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.8094e-01 1.F170 H = 7.980(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.9765e-01 1.F170 N = 120.077(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.2890e-01 1.Q171 C = 172.830(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4324e-02 1.Q171 CA = 54.613(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.6046e-01 1.Q171 CB = 31.144(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8299e-01 1.Q171 H = 8.877(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.6547e-01 1.Q171 N = 115.084(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.8188e-01 1.F172 CA = 57.428(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.9973e-01 1.F172 CB = 41.699(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.1353e-01 1.F172 H = 8.127(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.4623e-01 1.F172 N = 116.589(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.5565e-01 1.P174 C = 176.613(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2771e-01 1.P174 CA = 62.719(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.8770e-01 1.P174 CB = 34.130(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.3334e-02 1.I175 C = 176.055(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1497e-01 1.I175 CA = 62.690(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8696e-01 1.I175 CB = 36.919(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.9698e-01 1.I175 H = 8.227(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.3788e-01 1.I175 N = 118.921(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.5303e-01 1.R176 C = 173.744(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.8908e-01 1.R176 CA = 54.433(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.1169e-01 1.R176 CB = 32.822(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.4623e-01 1.R176 H = 8.320(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.9566e-01 1.R176 N = 126.568(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1702e-01 1.V177 C = 175.619(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.9958e-01 1.V177 CA = 59.859(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5761e-01 1.V177 CB = 32.439(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.7086e-01 1.V177 H = 8.369(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0614e-01 1.V177 N = 122.073(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3718e-01 1.S178 C = 173.495(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.1307e-01 1.S178 CA = 58.358(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6117e-01 1.S178 CB = 63.333(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.5235e-01 1.S178 H = 8.115(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.7974e-01 1.S178 N = 123.421(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2490e-02 1.E179 CA = 54.153(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2969e-01 1.E179 CB = 28.649(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2878e-01 1.E179 H = 8.319(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8513e-01 1.E179 N = 120.715(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8968e-01 1.P185 C = 176.923(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.0879e-01 1.P185 CA = 63.204(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.3394e-01 1.P185 CB = 30.987(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.6456e-01 1.V186 C = 176.358(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.9770e-01 1.V186 CA = 59.169(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4557e-01 1.V186 CB = 32.075(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.1442e-01 1.V186 H = 8.399(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7077e-01 1.V186 N = 120.976(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7118e-01 1.R187 C = 176.042(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.5615e-01 1.R187 CA = 55.007(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.4534e-01 1.R187 CB = 30.486(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0691e-01 1.R187 H = 8.451(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.2942e-01 1.R187 N = 128.064(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.8392e-02 1.R188 C = 176.980(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.7887e-01 1.R188 CA = 57.447(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.6947e-01 1.R188 CB = 29.462(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.9872e-01 1.R188 H = 8.541(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2170e-01 1.R188 N = 123.882(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0231e-01 1.G189 C = 173.170(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0964e-01 1.G189 CA = 45.926(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6730e-01 1.G189 H = 9.121(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.2363e-01 1.G189 N = 117.768(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6393e-02 1.S190 C = 173.541(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.3045e-01 1.S190 CA = 58.409(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.8057e-01 1.S190 CB = 64.454(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.5857e-01 1.S190 H = 8.154(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3089e-01 1.S190 N = 115.383(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9885e-01 1.V191 C = 174.643(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.0710e-01 1.V191 CA = 59.733(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3505e-01 1.V191 CB = 32.844(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4922e-01 1.V191 H = 9.053(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5478e-01 1.V191 N = 125.173(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7437e-01 1.T192 C = 173.005(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.8312e-01 1.T192 CA = 62.217(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9908e-01 1.T192 CB = 69.479(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.7762e-01 1.T192 H = 9.249(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0365e-01 1.T192 N = 124.471(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.6719e-02 1.V193 C = 175.486(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.4378e-01 1.V193 CA = 60.960(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9267e-01 1.V193 CB = 32.561(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2478e-01 1.V193 H = 9.330(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2060e-01 1.V193 N = 128.948(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5465e-02 1.L194 C = 175.345(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.0608e-01 1.L194 CA = 53.181(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5218e-01 1.L194 CB = 43.654(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.7467e-01 1.L194 H = 9.161(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5206e-01 1.L194 N = 127.055(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8284e-01 1.S195 C = 172.873(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.0977e-01 1.S195 CA = 56.641(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1521e-01 1.S195 CB = 65.652(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.1081e-01 1.S195 H = 9.318(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8523e-02 1.S195 N = 117.771(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.7187e-01 1.G196 C = 175.327(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.3834e-01 1.G196 CA = 46.053(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.9984e-01 1.G196 H = 8.986(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.1286e-01 1.G196 N = 107.413(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5976e-01 1.Y197 CA = 61.761(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.4800e-01 1.Y197 CB = 38.491(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.0113e-01 1.Y197 H = 8.910(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.1896e-01 1.Y197 N = 128.076(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.2011e-02 1.D200 C = 177.524(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.2069e-01 1.D200 CA = 55.370(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3764e-01 1.D200 CB = 41.617(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.4915e-01 1.E201 C = 173.379(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.3413e-02 1.E201 CA = 55.263(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.2501e-01 1.E201 CB = 28.708(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4906e-01 1.E201 H = 7.871(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3659e-01 1.E201 N = 116.690(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5276e-01 1.I202 C = 171.998(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.4830e-02 1.I202 CA = 58.660(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.7101e-01 1.I202 CB = 40.467(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.6314e-01 1.I202 H = 7.097(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.1911e-02 1.I202 N = 117.715(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8157e-01 1.T203 CA = 59.893(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.6894e-01 1.T203 CB = 70.932(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.6087e-01 1.T203 H = 7.377(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.6394e-01 1.T203 N = 115.240(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6977e-01 1.P208 C = 179.600(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.9104e-02 1.P208 CA = 64.049(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.3619e-01 1.P208 CB = 30.775(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.6229e-01 1.Q209 C = 175.981(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.6602e-01 1.Q209 CA = 56.317(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.0589e-01 1.Q209 CB = 26.690(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.6956e-01 1.Q209 H = 9.036(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6665e-01 1.Q209 N = 113.873(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4645e-02 1.D210 C = 177.392(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.7081e-01 1.D210 CA = 54.124(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.8038e-01 1.D210 CB = 40.051(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.0884e-01 1.D210 H = 7.643(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5014e-01 1.D210 N = 118.853(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4154e-01 1.I211 C = 175.411(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.1914e-01 1.I211 CA = 58.428(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3510e-01 1.I211 CB = 33.410(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7617e-03 1.I211 H = 7.494(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4773e-01 1.I211 N = 127.543(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.5524e-01 1.K212 C = 175.821(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8217e-01 1.K212 CA = 56.377(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9451e-01 1.K212 CB = 32.507(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7368e-01 1.K212 H = 8.169(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7208e-01 1.K212 N = 126.492(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4888e-01 1.E213 C = 172.802(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.6965e-02 1.E213 CA = 53.252(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1605e-02 1.E213 CB = 32.356(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.7258e-01 1.E213 H = 7.682(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7207e-01 1.E213 N = 117.317(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.3529e-01 1.R214 C = 176.769(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.5963e-01 1.R214 CA = 56.972(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.3032e-01 1.R214 CB = 28.699(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.7420e-01 1.R214 H = 8.315(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.0215e-01 1.R214 N = 119.759(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.7727e-01 1.R215 C = 172.644(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.3572e-02 1.R215 CA = 54.815(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.9737e-01 1.R215 CB = 28.861(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.1494e-01 1.R215 H = 8.517(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.4976e-01 1.R215 N = 129.209(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.2310e-02 1.A216 CA = 49.966(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.0893e-01 1.A216 CB = 22.726(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2296e-02 1.A216 H = 8.096(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6239e-01 1.A216 N = 125.200(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7787e-01 1.V217 C = 173.918(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.7037e-01 1.V217 CA = 58.336(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4638e-01 1.I218 C = 174.162(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.7931e-01 1.I218 CA = 60.273(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.1786e-01 1.I218 CB = 38.880(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.0150e-01 1.I218 H = 9.304(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3210e-01 1.I218 N = 126.747(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1673e-01 1.I219 C = 175.769(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.6635e-01 1.I219 CA = 58.586(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5917e-01 1.I219 CB = 36.313(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5137e-01 1.I219 H = 9.553(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.1199e-02 1.I219 N = 128.942(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0441e-02 1.L220 C = 174.321(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7766e-01 1.L220 CA = 52.863(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9554e-01 1.L220 CB = 41.038(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9866e-01 1.L220 H = 9.799(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5785e-02 1.L220 N = 131.543(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3035e-02 1.R221 Typing: Mistyped 1.R221 C = 174.296(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.9770e-01 1.R221 CA = 53.210(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2329e-01 1.R221 CB = 37.152(S), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2239e-04 1.R221 H = 8.409(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.8174e-01 1.R221 N = 118.198(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.7953e-01 1.K222 C = 177.585(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.3657e-01 1.K222 CA = 53.727(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4292e-01 1.K222 CB = 34.006(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.9451e-01 1.K222 H = 9.122(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2034e-01 1.K222 N = 124.712(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3137e-01 1.T223 C = 174.990(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.9820e-01 1.T223 CA = 60.147(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2349e-01 1.T223 CB = 68.606(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9046e-01 1.T223 H = 9.534(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.6879e-02 1.T223 N = 119.898(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4582e-01 1.R224 C = 178.944(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1193e-01 1.R224 CA = 55.488(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7891e-01 1.R224 CB = 30.923(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0301e-01 1.R224 H = 8.253(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.8300e-01 1.R224 N = 121.368(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7734e-01 1.L225 CA = 57.338(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1991e-01 1.L225 CB = 40.687(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.8797e-01 1.L225 H = 8.810(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7223e-01 1.L225 N = 126.823(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0317e-01 1.D226 C = 175.700(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8916e-01 1.D226 CA = 51.831(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.5902e-01 1.D226 CB = 38.788(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.9658e-01 1.A227 CA = 50.124(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2770e-01 1.A227 CB = 18.360(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2245e-01 1.A227 H = 7.072(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0108e-02 1.A227 N = 123.266(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9189e-01 1.P228 C = 175.334(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.4837e-01 1.P228 CA = 62.210(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.6122e-01 1.P228 CB = 31.086(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.1734e-01 1.R229 C = 176.956(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.8796e-01 1.R229 CA = 53.356(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.3943e-01 1.R229 CB = 32.276(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.8913e-01 1.R229 H = 8.128(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.5432e-01 1.R229 N = 119.879(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0238e-01 1.L230 CA = 56.516(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7401e-01 1.L230 CB = 42.727(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2446e-01 1.L230 H = 7.858(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6711e-01 1.L230 N = 127.799(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2780e-01