Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.2 K 0.18 Q 0.16 C 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.01 C Shift Assignments>> CA :: 56.120(D) CB :: 33.083(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) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 Y 0.23 F 0.21 C 0.16 HN Overlap>> 1.A111 1.A111 C Shift Assignments>> C :: 175.644(D) CA :: 60.721(D) CB :: 39.069(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 :: 8.202(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.064(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.18 Q 0.17 C 0.16 R 0.07 H 0.07 W 0.04 E 0.03 V 0.01 C Shift Assignments>> C :: 175.570(D) CA :: 56.076(D) CB :: 33.184(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 :: 8.365(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 :: 126.593(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.24 F 0.2 C 0.18 E 0.01 C Shift Assignments>> C :: 176.115(D) CA :: 60.356(D) CB :: 38.674(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 :: 8.191(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 :: 124.693(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.28 K 0.09 Q 0.07 M 0.05 W 0.04 R 0.03 H 0.02 P 0.02 I 0.01 E 0.01 C Shift Assignments>> C :: 175.402(D) CA :: 60.516(D) CB :: 33.603(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 :: 8.616(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 :: 123.781(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.27 N 0.26 F 0.12 L 0.11 Y 0.11 C 0.08 C Shift Assignments>> C :: 174.392(D) CA :: 54.389(D) CB :: 39.749(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) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.17 C 0.16 Q 0.14 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 173.944(D) CA :: 54.741(D) CB :: 32.911(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 :: 7.531(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 :: 116.607(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 C 0.16 L 0.12 C Shift Assignments>> C :: 174.306(D) CA :: 54.616(D) CB :: 47.586(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 :: 9.062(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.974(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.13 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 177.704(D) CA :: 50.574(D) CB :: 17.395(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.646(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.008(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 P 0.3 C 0.19 W 0.05 I 0.02 R 0.02 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 175.536(D) CA :: 62.225(D) CB :: 31.762(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 :: 8.377(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 :: 118.682(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 168.957(D) CA :: 45.032(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.997(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.998(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.38 P 0.28 C 0.19 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 177.192(D) CA :: 62.251(D) CB :: 32.312(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.A15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 179.072(D) CA :: 54.928(D) CB :: 17.922(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.487(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.430(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.102(D) CA :: 59.460(D) CB :: 62.528(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.017(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 :: 110.370(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 K 0.22 D 0.16 F 0.13 Y 0.09 R 0.06 C 0.06 N 0.01 C Shift Assignments>> C :: 176.699(D) CA :: 56.156(D) CB :: 41.725(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 :: 7.958(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 :: 121.428(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.13 K 0.12 R 0.11 E 0.09 H 0.09 M 0.09 V 0.08 Q 0.04 C Shift Assignments>> C :: 172.057(D) CA :: 58.912(D) CB :: 31.745(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 :: 6.974(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 :: 113.996(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.22 C 0.22 W 0.03 K 0.02 R 0.01 M 0.01 Q 0.01 C Shift Assignments>> C :: 176.090(D) CA :: 62.205(D) CB :: 32.919(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.N20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 F 0.2 D 0.15 N 0.14 C 0.13 L 0.07 I 0.03 E 0.01 C Shift Assignments>> C :: 175.897(D) CA :: 55.877(D) CB :: 39.090(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.551(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.579(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.117(D) CA :: 45.294(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.208(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.803(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.202(D) CA :: 60.828(D) CB :: 73.077(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 :: 7.786(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 :: 110.834(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.200(D) CA :: 45.083(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.383(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.342(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 N 0.2 Y 0.17 F 0.13 E 0.12 D 0.05 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 173.324(D) CA :: 55.492(D) CB :: 37.650(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 :: 8.906(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 :: 125.073(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.24 F 0.2 C 0.18 E 0.01 C Shift Assignments>> C :: 175.653(D) CA :: 60.281(D) CB :: 38.544(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 :: 7.977(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 :: 124.303(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.26 L 0.24 K 0.15 F 0.1 D 0.08 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 174.770(D) CA :: 56.709(D) CB :: 42.798(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 :: 9.338(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.280(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.14 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 174.994(D) CA :: 56.319(D) CB :: 29.261(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 :: 8.844(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 :: 122.623(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.18 L 0.16 K 0.14 D 0.12 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 173.872(D) CA :: 57.173(D) CB :: 40.980(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 :: 8.437(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 :: 126.357(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.22 N 0.17 Y 0.12 M 0.09 F 0.08 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 174.761(D) CA :: 55.212(D) CB :: 36.889(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 :: 8.866(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 :: 123.945(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.17 L 0.16 F 0.12 Y 0.1 C 0.07 K 0.03 C Shift Assignments>> C :: 174.483(D) CA :: 54.438(D) CB :: 40.389(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 :: 8.605(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 :: 122.098(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.37 L 0.25 D 0.13 R 0.13 C 0.04 F 0.01 N 0.01 K 0.01 C Shift Assignments>> C :: 175.344(D) CA :: 51.677(D) CB :: 43.659(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 :: 8.376(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 :: 122.252(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 E 0.21 M 0.2 Q 0.08 K 0.08 N 0.06 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 175.005(D) CA :: 54.931(D) CB :: 35.587(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 :: 8.669(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 :: 120.521(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.14 V 0.1 K 0.08 M 0.07 Q 0.07 I 0.06 Y 0.04 F 0.01 W 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 174.004(D) CA :: 59.644(D) CB :: 35.007(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) H Shift Assignments>> H :: 9.397(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 :: 120.153(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.18 L 0.12 C 0.1 D 0.06 I 0.05 R 0.02 C Shift Assignments>> C :: 173.572(D) CA :: 58.100(D) CB :: 41.213(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 :: 9.689(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 :: 124.405(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 V 0.22 K 0.12 Q 0.07 M 0.07 W 0.06 R 0.05 H 0.04 E 0.03 P 0.01 C Shift Assignments>> C :: 174.938(D) CA :: 60.008(D) CB :: 33.049(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 :: 8.897(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 131.018(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 V 0.27 K 0.08 Q 0.07 M 0.05 I 0.03 E 0.03 W 0.03 R 0.02 H 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 173.740(D) CA :: 60.630(D) CB :: 34.079(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 :: 8.515(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 :: 125.471(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.23 C 0.08 L 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.396(D) CA :: 50.242(D) CB :: 39.807(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 :: 7.807(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 :: 123.016(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 C 0.12 W 0.12 M 0.11 E 0.11 Q 0.1 K 0.08 C Shift Assignments>> C :: 175.871(D) CA :: 55.817(D) CB :: 30.947(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 :: 8.365(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.641(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 175.131(D) CA :: 46.415(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.669(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.290(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.958(D) CA :: 45.028(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.870(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.761(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.875(D) CA :: 57.087(D) CB :: 64.803(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.741(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.020(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.46 L 0.28 R 0.1 D 0.06 C 0.04 F 0.01 C Shift Assignments>> C :: 176.789(D) CA :: 53.483(D) CB :: 44.479(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 :: 8.270(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 :: 127.500(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.767(D) CA :: 59.968(D) CB :: 72.483(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 :: 8.889(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 :: 115.672(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 L 0.29 C 0.1 C Shift Assignments>> C :: 175.317(D) CA :: 51.147(D) CB :: 22.255(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.807(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.566(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.3 C 0.25 Y 0.13 M 0.07 F 0.07 I 0.06 K 0.03 Q 0.01 N 0.01 C Shift Assignments>> C :: 175.065(D) CA :: 57.695(D) CB :: 36.422(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 :: 8.052(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.855(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.628(D) CA :: 59.142(D) CB :: 63.745(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.993(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 :: 114.426(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 C 0.03 L 0.02 C Shift Assignments>> C :: 175.472(D) CA :: 50.063(D) CB :: 20.776(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.110(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.149(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.74 C 0.15 Y 0.04 F 0.03 V 0.01 C Shift Assignments>> C :: 183.376(S) CA :: 64.648(D) CB :: 38.074(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 :: 7.592(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 :: 119.309(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.27 D 0.2 K 0.18 R 0.12 F 0.07 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 175.328(D) CA :: 54.973(D) CB :: 42.209(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.592(D) CA :: 61.715(D) CB :: 71.638(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 :: 9.558(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.880(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 I 0.15 W 0.14 K 0.12 E 0.1 Q 0.09 H 0.07 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 174.134(D) CA :: 59.400(D) CB :: 28.503(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 :: 9.248(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 :: 119.922(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C54 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 :: 171.311(D) CA :: 58.311(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.22 K 0.15 R 0.12 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> C :: 177.969(D) CA :: 54.442(D) CB :: 42.317(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 :: 8.290(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.200(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.19 W 0.12 K 0.08 R 0.08 E 0.06 H 0.06 M 0.05 P 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 173.500(D) CA :: 60.210(D) CB :: 31.886(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 :: 7.910(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 :: 116.292(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H57 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 :: 173.232(D) CA :: 54.609(D) CB :: 33.530(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 :: 8.148(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 :: 111.418(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 M 0.13 C 0.13 W 0.11 E 0.1 K 0.1 Q 0.08 C Shift Assignments>> C :: 174.157(D) CA :: 55.959(D) CB :: 31.201(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 :: 8.811(D) HE1 :: 10.903(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 :: 119.816(D) NE1 :: 128.892(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.2 N 0.18 K 0.06 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 174.172(D) CA :: 51.602(D) CB :: 41.552(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 :: 8.230(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 :: 130.760(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 K 0.14 C 0.14 E 0.13 Q 0.12 H 0.11 R 0.09 I 0.04 M 0.02 C Shift Assignments>> C :: 177.682(D) CA :: 58.065(D) CB :: 29.136(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 :: 8.066(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 :: 125.068(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.173(D) CA :: 54.315(D) CB :: 18.347(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.975(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.186(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 176.049(D) CA :: 51.037(D) CB :: 20.089(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.237(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.340(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.31 D 0.2 Y 0.13 F 0.13 C 0.1 L 0.07 I 0.01 C Shift Assignments>> C :: 174.745(D) CA :: 54.539(D) CB :: 39.087(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 :: 7.740(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 :: 120.385(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 E 0.23 M 0.19 Q 0.09 K 0.09 Y 0.04 N 0.03 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 173.879(D) CA :: 55.597(D) CB :: 35.500(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 :: 6.557(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 :: 112.980(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 Y 0.17 C 0.17 F 0.15 C Shift Assignments>> C :: 174.349(D) CA :: 61.580(D) CB :: 38.649(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 :: 8.901(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 :: 120.971(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 L 0.07 E 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 180.976(D) CA :: 56.472(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.763(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.281(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.18 I 0.15 W 0.14 K 0.12 E 0.1 Q 0.09 H 0.07 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 174.155(D) CA :: 59.386(D) CB :: 28.500(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) 1.D77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.24 C 0.07 L 0.06 F 0.05 Y 0.05 C Shift Assignments>> C :: 176.167(D) CA :: 52.425(D) CB :: 39.474(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 :: 7.835(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 :: 108.736(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 HN Overlap>> 1.G83 1.G83 C Shift Assignments>> C :: 173.143(D) CA :: 47.307(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.418(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.106(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 C 0.14 K 0.14 R 0.14 H 0.12 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 177.644(D) CA :: 56.523(D) CB :: 31.784(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 :: 7.978(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 :: 118.489(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.79 C 0.12 F 0.04 Y 0.03 C Shift Assignments>> C :: 177.490(D) CA :: 65.296(D) CB :: 39.432(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 :: 8.703(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 :: 120.760(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.71 C 0.13 F 0.07 Y 0.07 C Shift Assignments>> C :: 175.691(D) CA :: 64.018(D) CB :: 39.222(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 :: 8.517(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 :: 128.367(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.328(D) CA :: 57.452(D) CB :: 64.228(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.719(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 :: 110.487(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.G78 1.G78 C Shift Assignments>> CA :: 44.657(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.418(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.106(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L87 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 6.848(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 :: 118.679(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.49 C 0.26 P 0.12 I 0.03 K 0.02 W 0.01 Q 0.01 C Shift Assignments>> C :: 175.631(D) CA :: 62.489(D) CB :: 33.827(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.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.2 N 0.12 F 0.11 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> C :: 177.617(D) CA :: 54.552(D) CB :: 40.846(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 :: 8.899(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.743(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 C 0.19 K 0.19 M 0.18 R 0.06 H 0.05 W 0.04 V 0.03 E 0.02 C Shift Assignments>> C :: 175.501(D) CA :: 57.172(D) CB :: 33.563(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.577(D) 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 :: 124.393(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 E 0.14 W 0.13 C 0.12 Q 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 175.876(D) CA :: 56.491(D) CB :: 30.428(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 :: 8.337(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 :: 122.655(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y92 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 0.1 C 0.1 K 0.09 I 0.05 N 0.01 C Shift Assignments>> C :: 174.695(D) CA :: 57.475(D) CB :: 40.694(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 :: 8.679(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 :: 123.325(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 Q 0.19 K 0.17 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 C Shift Assignments>> C :: 174.991(D) CA :: 55.238(D) CB :: 33.349(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 :: 8.719(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 :: 121.306(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 K 0.14 Q 0.14 V 0.12 M 0.1 E 0.04 W 0.03 R 0.03 H 0.03 I 0.01 Y 0.01 C Shift Assignments>> C :: 172.271(D) CA :: 59.166(D) CB :: 34.035(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 :: 8.380(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 :: 119.449(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.19 M 0.19 N 0.11 K 0.06 Q 0.06 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 173.118(D) CA :: 54.328(D) CB :: 35.775(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 :: 8.405(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.477(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 Y 0.23 I 0.19 F 0.16 E 0.12 M 0.01 C Shift Assignments>> C :: 176.488(D) CA :: 59.083(D) CB :: 37.507(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 :: 8.384(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 :: 119.891(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 Q 0.2 K 0.18 C 0.16 R 0.06 H 0.06 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 175.866(D) CA :: 55.375(D) CB :: 33.470(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 :: 9.073(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 :: 128.576(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.25 F 0.16 N 0.15 Y 0.14 L 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 175.880(D) CA :: 55.219(D) CB :: 40.018(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.G99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.325(D) CA :: 45.712(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.433(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.638(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.21 Q 0.18 K 0.12 E 0.09 N 0.02 H 0.02 R 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 174.263(D) CA :: 54.473(D) CB :: 34.784(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.995(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.282(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 C 0.21 Y 0.15 F 0.11 E 0.02 C Shift Assignments>> C :: 174.681(D) CA :: 61.625(D) CB :: 37.743(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 :: 8.773(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 :: 121.107(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 C 0.27 P 0.11 K 0.05 W 0.05 R 0.02 M 0.02 Q 0.02 H 0.01 E 0.01 C Shift Assignments>> C :: 176.186(D) CA :: 61.352(D) CB :: 32.935(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 :: 9.051(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 :: 129.075(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.24 K 0.11 Q 0.08 M 0.06 W 0.05 R 0.03 H 0.03 E 0.01 P 0.01 I 0.01 C Shift Assignments>> C :: 173.944(D) CA :: 60.194(D) CB :: 33.475(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 :: 8.540(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 :: 130.107(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 173.646(D) CA :: 56.767(D) CB :: 66.391(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.064(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 :: 117.878(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 Y 0.18 F 0.17 C 0.15 C Shift Assignments>> C :: 176.001(D) CA :: 61.730(D) CB :: 39.344(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 :: 8.180(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 :: 119.069(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.06 C 0.01 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 176.990(D) CA :: 52.119(D) CB :: 19.579(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.613(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.917(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.2 K 0.18 Q 0.18 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 176.133(D) CA :: 56.154(D) CB :: 33.276(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) 1.L108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.18 D 0.17 K 0.15 F 0.07 C 0.04 Y 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 177.025(D) CA :: 55.023(D) CB :: 42.555(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 :: 8.327(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.701(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.376(D) CA :: 52.558(D) CB :: 19.301(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.335(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.457(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.537(D) CA :: 52.603(D) CB :: 19.362(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.A111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.09 C 0.01 HN Overlap>> 1.I4 1.I4 C Shift Assignments>> C :: 177.716(D) CA :: 52.544(D) CB :: 19.252(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.202(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.064(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.18 K 0.17 R 0.15 F 0.07 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 177.420(D) CA :: 55.192(D) CB :: 42.365(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 :: 8.122(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.913(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 E 0.14 W 0.13 C 0.12 Q 0.12 M 0.07 K 0.06 C Shift Assignments>> C :: 176.168(D) CA :: 56.559(D) CB :: 30.424(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 :: 8.277(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 :: 121.143(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.FES1 Overall Status: Residue type FES not supported. ########################################################################### Overall Results: #Consistent: 22 #Clerical: 96 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 96 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 23 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 275 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 87 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 87 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K3 CA = 56.120(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.0597e-01 1.K3 CB = 33.083(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6925e-01 1.I4 C = 175.644(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1456e-01 1.I4 CA = 60.721(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4010e-01 1.I4 CB = 39.069(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.2795e-01 1.I4 H = 8.202(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.0868e-01 1.I4 N = 123.064(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.0783e-01 1.K5 C = 175.570(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.9265e-01 1.K5 CA = 56.076(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9117e-01 1.K5 CB = 33.184(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2482e-01 1.K5 H = 8.365(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7054e-01 1.K5 N = 126.593(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4148e-01 1.I6 C = 176.115(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.9022e-01 1.I6 CA = 60.356(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.3985e-01 1.I6 CB = 38.674(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8262e-01 1.I6 H = 8.191(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9587e-01 1.I6 N = 124.693(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5002e-01 1.V7 C = 175.402(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.0865e-01 1.V7 CA = 60.516(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9006e-01 1.V7 CB = 33.603(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2576e-01 1.V7 H = 8.616(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2656e-01 1.V7 N = 123.781(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6076e-01 1.N8 C = 174.392(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.2378e-01 1.N8 CA = 54.389(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.5156e-01 1.N8 CB = 39.749(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.3090e-01 1.E9 C = 173.944(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.3348e-01 1.E9 CA = 54.741(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1721e-01 1.E9 CB = 32.911(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1675e-02 1.E9 H = 7.531(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7566e-01 1.E9 N = 116.607(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4300e-01 1.L10 C = 174.306(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7524e-01 1.L10 CA = 54.616(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3738e-01 1.L10 CB = 47.586(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.0101e-03 1.L10 H = 9.062(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0054e-01 1.L10 N = 123.974(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8778e-01 1.A11 C = 177.704(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8652e-01 1.A11 CA = 50.574(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9499e-01 1.A11 CB = 17.395(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7750e-01 1.A11 H = 8.646(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5728e-01 1.A11 N = 129.008(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0264e-01 1.V12 C = 175.536(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.6474e-01 1.V12 CA = 62.225(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2618e-01 1.V12 CB = 31.762(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.8866e-01 1.V12 H = 8.377(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.9668e-01 1.V12 N = 118.682(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8823e-01 1.G13 C = 168.957(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9673e-03 1.G13 CA = 45.032(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1241e-01 1.G13 H = 6.997(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0289e-02 1.G13 N = 105.998(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4270e-01 1.P14 C = 177.192(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.6974e-01 1.P14 CA = 62.251(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.7779e-01 1.P14 CB = 32.312(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.9541e-01 1.A15 C = 179.072(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3174e-01 1.A15 CA = 54.928(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6651e-01 1.A15 CB = 17.922(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5215e-01 1.A15 H = 8.487(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3241e-01 1.A15 N = 123.430(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5495e-01 1.S16 C = 175.102(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7930e-01 1.S16 CA = 59.460(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2073e-01 1.S16 CB = 62.528(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9009e-01 1.S16 H = 8.017(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5577e-01 1.S16 N = 110.370(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3156e-02 1.D17 C = 176.699(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.6434e-01 1.D17 CA = 56.156(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.7019e-01 1.D17 CB = 41.725(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.0195e-01 1.D17 H = 7.958(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4392e-01 1.D17 N = 121.428(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4027e-01 1.V18 C = 172.057(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.0757e-02 1.V18 CA = 58.912(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.1092e-01 1.V18 CB = 31.745(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.8213e-01 1.V18 H = 6.974(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9509e-02 1.V18 N = 113.996(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1559e-01 1.P19 C = 176.090(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.6205e-01 1.P19 CA = 62.205(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.5922e-01 1.P19 CB = 32.919(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.6497e-01 1.N20 C = 175.897(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.2613e-01 1.N20 CA = 55.877(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.1384e-01 1.N20 CB = 39.090(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1290e-01 1.N20 H = 8.551(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.3768e-01 1.N20 N = 117.579(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.3745e-01 1.G21 C = 174.117(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9547e-01 1.G21 CA = 45.294(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6667e-01 1.G21 H = 9.208(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7677e-01 1.G21 N = 114.803(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.8472e-01 1.T22 C = 171.202(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.7882e-02 1.T22 CA = 60.828(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.9096e-01 1.T22 CB = 73.077(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.0036e-02 1.T22 H = 7.786(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6401e-01 1.T22 N = 110.834(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.3431e-01 1.G23 C = 173.200(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2155e-01 1.G23 CA = 45.083(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4206e-01 1.G23 H = 8.383(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3501e-01 1.G23 N = 104.342(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6859e-01 1.K24 C = 173.324(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7317e-02 1.K24 CA = 55.492(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.0751e-01 1.K24 CB = 37.650(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3270e-03 1.K24 H = 8.906(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3274e-01 1.K24 N = 125.073(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.8592e-01 1.I25 C = 175.653(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1828e-01 1.I25 CA = 60.281(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.1997e-01 1.I25 CB = 38.544(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6604e-01 1.I25 H = 7.977(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.5589e-01 1.I25 N = 124.303(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0653e-01 1.Y26 C = 174.770(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.5156e-01 1.Y26 CA = 56.709(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.7130e-01 1.Y26 CB = 42.798(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.0736e-01 1.Y26 H = 9.338(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.6316e-01 1.Y26 N = 125.280(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.5707e-01 1.Q27 C = 174.994(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.9976e-01 1.Q27 CA = 56.319(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.0663e-01 1.Q27 CB = 29.261(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.6888e-01 1.Q27 H = 8.844(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.9023e-01 1.Q27 N = 122.623(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4775e-01 1.F28 C = 173.872(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.3663e-01 1.F28 CA = 57.173(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2415e-01 1.F28 CB = 40.980(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.3572e-01 1.F28 H = 8.437(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.1483e-01 1.F28 N = 126.357(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5761e-01 1.N29 C = 174.761(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.7614e-01 1.N29 CA = 55.212(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.7381e-01 1.N29 CB = 36.889(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.8657e-01 1.N29 H = 8.866(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.0376e-01 1.N29 N = 123.945(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.1335e-01 1.D30 C = 174.483(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.7333e-01 1.D30 CA = 54.438(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.0121e-01 1.D30 CB = 40.389(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6182e-01 1.D30 H = 8.605(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1102e-01 1.D30 N = 122.098(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0756e-01 1.D31 C = 175.344(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.4622e-01 1.D31 CA = 51.677(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3775e-01 1.D31 CB = 43.659(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6266e-02 1.D31 H = 8.376(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0940e-01 1.D31 N = 122.252(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.7812e-01 1.K32 C = 175.005(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.1364e-01 1.K32 CA = 54.931(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5876e-01 1.K32 CB = 35.587(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.1610e-01 1.K32 H = 8.669(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2468e-01 1.K32 N = 120.521(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8841e-01 1.V33 C = 174.004(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.9503e-01 1.V33 CA = 59.644(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.1969e-01 1.V33 CB = 35.007(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.0335e-01 1.V33 H = 9.397(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8486e-02 1.V33 N = 120.153(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2790e-01 1.I34 C = 173.572(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.3544e-01 1.I34 CA = 58.100(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9030e-01 1.I34 CB = 41.213(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.0100e-01 1.I34 H = 9.689(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.8260e-02 1.I34 N = 124.405(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.9140e-01 1.V35 C = 174.938(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.1963e-01 1.V35 CA = 60.008(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8549e-01 1.V35 CB = 33.049(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.5856e-01 1.V35 H = 8.897(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6495e-01 1.V35 N = 131.018(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9572e-02 1.V36 C = 173.740(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.2243e-01 1.V36 CA = 60.630(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.1547e-01 1.V36 CB = 34.079(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.5107e-01 1.V36 H = 8.515(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3701e-01 1.V36 N = 125.471(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4010e-01 1.N37 C = 174.396(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.2536e-01 1.N37 CA = 50.242(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.9387e-02 1.N37 CB = 39.807(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.0865e-01 1.N37 H = 7.807(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.9754e-01 1.N37 N = 123.016(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.1063e-01 1.H38 C = 175.871(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.5259e-01 1.H38 CA = 55.817(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.6088e-01 1.H38 CB = 30.947(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.3269e-01 1.H38 H = 8.365(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.5415e-01 1.H38 N = 121.641(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.2573e-01 1.G39 C = 175.131(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0238e-01 1.G39 CA = 46.415(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.2674e-01 1.G39 H = 8.669(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0199e-01 1.G39 N = 117.290(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8954e-02 1.G40 C = 173.958(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6267e-01 1.G40 CA = 45.028(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1010e-01 1.G40 H = 8.870(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0610e-01 1.G40 N = 107.761(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.2181e-01 1.S41 C = 171.875(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.1050e-01 1.S41 CA = 57.087(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3018e-01 1.S41 CB = 64.803(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9796e-01 1.S41 H = 7.741(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6095e-01 1.S41 N = 116.020(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4112e-01 1.L42 C = 176.789(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1914e-01 1.L42 CA = 53.483(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1572e-01 1.L42 CB = 44.479(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.4861e-01 1.L42 H = 8.270(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5093e-01 1.L42 N = 127.500(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4813e-01 1.T43 C = 172.767(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.1375e-01 1.T43 CA = 59.968(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.8458e-01 1.T43 CB = 72.483(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.1228e-02 1.T43 H = 8.889(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9520e-01 1.T43 N = 115.672(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.5769e-01 1.A44 C = 175.317(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5530e-01 1.A44 CA = 51.147(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1414e-01 1.A44 CB = 22.255(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6192e-02 1.A44 H = 8.807(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1170e-01 1.A44 N = 121.566(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3831e-01 1.V45 C = 175.065(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7021e-01 1.V45 CA = 57.695(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3626e-02 1.V45 CB = 36.422(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9154e-02 1.V45 H = 8.052(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2242e-01 1.V45 N = 113.855(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0858e-01 1.S46 C = 172.628(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.4681e-01 1.S46 CA = 59.142(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.3846e-01 1.S46 CB = 63.745(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7036e-01 1.S46 H = 8.993(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2686e-01 1.S46 N = 114.426(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9840e-01 1.A47 C = 175.472(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8697e-01 1.A47 CA = 50.063(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2017e-01 1.A47 CB = 20.776(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3453e-01 1.A47 H = 9.110(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2935e-01 1.A47 N = 123.149(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8175e-01 1.I48 C = 183.376(S), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8626e-05 1.I48 CA = 64.648(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5697e-01 1.I48 CB = 38.074(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.8313e-01 1.I48 H = 7.592(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.1165e-01 1.I48 N = 119.309(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1527e-01 1.C49 C = 175.328(D), Expected = 174.95, Std = 2.0700, ChiSquare = 8.5511e-01 1.C49 CA = 54.973(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.1775e-01 1.C49 CB = 42.209(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.0585e-01 1.T50 C = 176.592(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.4365e-01 1.T50 CA = 61.715(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4541e-01 1.T50 CB = 71.638(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.4178e-01 1.T50 H = 9.558(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3519e-02 1.T50 N = 111.880(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5611e-01 1.H51 C = 174.134(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.7106e-01 1.H51 CA = 59.400(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.1249e-01 1.H51 CB = 28.503(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.0140e-01 1.H51 H = 9.248(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.3825e-01 1.H51 N = 119.922(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.5375e-01 1.C54 C = 171.311(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.8753e-02 1.C54 CA = 58.311(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.9736e-01 1.L55 C = 177.969(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2099e-01 1.L55 CA = 54.442(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8023e-01 1.L55 CB = 42.317(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9703e-01 1.L55 H = 8.290(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2645e-01 1.L55 N = 120.200(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7037e-01 1.V56 C = 173.500(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6451e-01 1.V56 CA = 60.210(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2533e-01 1.V56 CB = 31.886(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.3728e-01 1.V56 H = 7.910(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7060e-01 1.V56 N = 116.292(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.8559e-01 1.H57 C = 173.232(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.0566e-01 1.H57 CA = 54.609(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.0808e-01 1.H57 CB = 33.530(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.1198e-01 1.H57 H = 8.148(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.9238e-01 1.H57 N = 111.418(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.8640e-02 1.W58 C = 174.157(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.2876e-01 1.W58 CA = 55.959(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.0970e-01 1.W58 CB = 31.201(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.5349e-01 1.W58 H = 8.811(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.0958e-01 1.W58 HE1 = 10.903(D), Expected = 10.08, Std = 0.6600, ChiSquare = 2.1241e-01 1.W58 N = 119.816(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.5565e-01 1.W58 NE1 = 128.892(D), Expected = 129.32, Std = 2.1100, ChiSquare = 8.3926e-01 1.D59 C = 174.172(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.0297e-01 1.D59 CA = 51.602(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2821e-01 1.D59 CB = 41.552(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.7828e-01 1.D59 H = 8.230(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9030e-01 1.D59 N = 130.760(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8144e-03 1.E60 C = 177.682(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.7711e-01 1.E60 CA = 58.065(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2150e-01 1.E60 CB = 29.136(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.1136e-01 1.E60 H = 8.066(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5454e-01 1.E60 N = 125.068(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.0630e-01 1.A61 C = 179.173(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.0109e-01 1.A61 CA = 54.315(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5289e-01 1.A61 CB = 18.347(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1713e-01 1.A61 H = 7.975(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0766e-01 1.A61 N = 120.186(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8985e-01 1.A62 C = 176.049(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.2726e-01 1.A62 CA = 51.037(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8818e-01 1.A62 CB = 20.089(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5545e-01 1.A62 H = 7.237(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0849e-01 1.A62 N = 118.340(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6717e-01 1.D63 C = 174.745(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4429e-01 1.D63 CA = 54.539(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.4070e-01 1.D63 CB = 39.087(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.6838e-01 1.D63 H = 7.740(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2573e-01 1.D63 N = 120.385(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.4527e-01 1.M64 C = 173.879(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.7092e-01 1.M64 CA = 55.597(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.1806e-01 1.M64 CB = 35.500(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.6249e-01 1.M64 H = 6.557(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.5350e-03 1.M64 N = 112.980(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.6415e-02 1.I65 C = 174.349(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3435e-01 1.I65 CA = 61.580(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9107e-01 1.I65 CB = 38.649(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9250e-01 1.I65 H = 8.901(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6112e-01 1.I65 N = 120.971(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.0904e-01 1.A66 C = 180.976(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.2870e-01 1.A66 CA = 56.472(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2408e-02 1.A66 H = 8.763(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4807e-01 1.A66 N = 132.281(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0565e-02 1.Q76 C = 174.155(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.6910e-01 1.Q76 CA = 59.386(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.8821e-01 1.Q76 CB = 28.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0460e-01 1.D77 C = 176.167(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9408e-01 1.D77 CA = 52.425(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6452e-01 1.D77 CB = 39.474(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.8545e-01 1.D77 H = 7.835(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1281e-01 1.D77 N = 108.736(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0251e-03 1.G78 C = 173.143(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.9898e-01 1.G78 CA = 47.307(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4417e-01 1.G78 H = 8.418(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9231e-01 1.G78 N = 108.106(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8611e-01 1.K79 C = 177.644(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.1567e-01 1.K79 CA = 56.523(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4610e-01 1.K79 CB = 31.784(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.7196e-01 1.K79 H = 7.978(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2384e-01 1.K79 N = 118.489(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9694e-01 1.I80 C = 177.490(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.9301e-01 1.I80 CA = 65.296(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6902e-01 1.I80 CB = 39.432(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.9135e-01 1.I80 H = 8.703(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.3390e-01 1.I80 N = 120.760(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7008e-01 1.I81 C = 175.691(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.3400e-01 1.I81 CA = 64.018(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6892e-01 1.I81 CB = 39.222(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.6947e-01 1.I81 H = 8.517(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2744e-01 1.I81 N = 128.367(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0657e-01 1.S82 C = 171.328(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.5626e-02 1.S82 CA = 57.452(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4017e-01 1.S82 CB = 64.228(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7244e-01 1.S82 H = 7.719(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4168e-01 1.S82 N = 110.487(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9818e-02 1.G83 CA = 44.657(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0504e-01 1.G83 H = 8.418(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9231e-01 1.G83 N = 108.106(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8611e-01 1.L87 H = 6.848(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3490e-02 1.L87 N = 118.679(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1471e-01 1.P88 C = 175.631(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.5866e-01 1.P88 CA = 62.489(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.8007e-01 1.P88 CB = 33.827(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3851e-02 1.L89 C = 177.617(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.5150e-01 1.L89 CA = 54.552(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.1608e-01 1.L89 CB = 40.846(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.3614e-01 1.L89 H = 8.899(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0337e-01 1.L89 N = 120.743(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7456e-01 1.K90 C = 175.501(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.6902e-01 1.K90 CA = 57.172(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1962e-01 1.K90 CB = 33.563(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.6409e-01 1.K90 H = 8.577(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1893e-01 1.K90 N = 124.393(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.7522e-01 1.Q91 C = 175.876(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2387e-01 1.Q91 CA = 56.491(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.7055e-01 1.Q91 CB = 30.428(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.9637e-01 1.Q91 H = 8.337(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4281e-01 1.Q91 N = 122.655(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4245e-01 1.Y92 C = 174.695(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.2314e-01 1.Y92 CA = 57.475(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.9413e-01 1.Y92 CB = 40.694(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.2470e-01 1.Y92 H = 8.679(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.2287e-01 1.Y92 N = 123.325(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.0422e-01 1.K93 C = 174.991(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.0966e-01 1.K93 CA = 55.238(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.3646e-01 1.K93 CB = 33.349(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5349e-01 1.K93 H = 8.719(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7796e-01 1.K93 N = 121.306(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4586e-01 1.V94 C = 172.271(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7963e-02 1.V94 CA = 59.166(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4514e-01 1.V94 CB = 34.035(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.6597e-01 1.V94 H = 8.380(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.9314e-01 1.V94 N = 119.449(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0954e-01 1.K95 C = 173.118(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.8239e-02 1.K95 CA = 54.328(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3333e-01 1.K95 CB = 35.775(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3549e-02 1.K95 H = 8.405(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2009e-01 1.K95 N = 124.477(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6334e-01 1.I96 C = 176.488(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.3967e-01 1.I96 CA = 59.083(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.4573e-01 1.I96 CB = 37.507(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.7825e-01 1.I96 H = 8.384(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7844e-01 1.I96 N = 119.891(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1393e-01 1.E97 C = 175.866(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.0664e-01 1.E97 CA = 55.375(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5205e-01 1.E97 CB = 33.470(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4259e-02 1.E97 H = 9.073(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.0791e-01 1.E97 N = 128.576(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.3096e-02 1.D98 C = 175.880(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6636e-01 1.D98 CA = 55.219(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9441e-01 1.D98 CB = 40.018(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.9466e-01 1.G99 C = 174.325(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.0876e-01 1.G99 CA = 45.712(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8705e-01 1.G99 H = 8.433(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7409e-01 1.G99 N = 101.638(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7945e-02 1.K100 C = 174.263(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.3464e-01 1.K100 CA = 54.473(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6020e-01 1.K100 CB = 34.784(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6262e-01 1.K100 H = 7.995(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4518e-01 1.K100 N = 121.282(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5093e-01 1.I101 C = 174.681(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.4262e-01 1.I101 CA = 61.625(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9553e-01 1.I101 CB = 37.743(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.6058e-01 1.I101 H = 8.773(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6845e-01 1.I101 N = 121.107(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3427e-01 1.V102 C = 176.186(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.6578e-01 1.V102 CA = 61.352(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9070e-01 1.V102 CB = 32.935(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0882e-01 1.V102 H = 9.051(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5603e-01 1.V102 N = 129.075(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0499e-02 1.V103 C = 173.944(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.7772e-01 1.V103 CA = 60.194(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2209e-01 1.V103 CB = 33.475(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.7726e-01 1.V103 H = 8.540(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0905e-01 1.V103 N = 130.107(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8256e-02 1.S104 C = 173.646(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.7120e-01 1.S104 CA = 56.767(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4544e-01 1.S104 CB = 66.391(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.0002e-02 1.S104 H = 9.064(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8391e-01 1.S104 N = 117.878(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.4984e-01 1.I105 C = 176.001(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.3731e-01 1.I105 CA = 61.730(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.6429e-01 1.I105 CB = 39.344(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.2374e-01 1.I105 H = 8.180(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8309e-01 1.I105 N = 119.069(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7640e-01 1.A106 C = 176.990(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2475e-01 1.A106 CA = 52.119(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.0609e-01 1.A106 CB = 19.579(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5585e-01 1.A106 H = 8.613(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9124e-01 1.A106 N = 128.917(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0816e-01 1.K107 C = 176.133(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.9988e-01 1.K107 CA = 56.154(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1749e-01 1.K107 CB = 33.276(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8483e-01 1.L108 C = 177.025(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.8590e-01 1.L108 CA = 55.023(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7926e-01 1.L108 CB = 42.555(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9631e-01 1.L108 H = 8.327(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8137e-01 1.L108 N = 124.701(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6633e-01 1.A109 C = 177.376(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6431e-01 1.A109 CA = 52.558(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6880e-01 1.A109 CB = 19.301(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7366e-01 1.A109 H = 8.335(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2198e-01 1.A109 N = 125.457(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2929e-01 1.A110 C = 177.537(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2407e-01 1.A110 CA = 52.603(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8623e-01 1.A110 CB = 19.362(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4747e-01 1.A111 C = 177.716(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9101e-01 1.A111 CA = 52.544(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6341e-01 1.A111 CB = 19.252(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9479e-01 1.A111 H = 8.202(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9734e-01 1.A111 N = 123.064(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6260e-01 1.L112 C = 177.420(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2807e-01 1.L112 CA = 55.192(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4075e-01 1.L112 CB = 42.365(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7666e-01 1.L112 H = 8.122(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6804e-01 1.L112 N = 120.913(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0814e-01 1.E113 C = 176.168(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1885e-01 1.E113 CA = 56.559(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1577e-01 1.E113 CB = 30.424(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.0979e-01 1.E113 H = 8.277(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2842e-01 1.E113 N = 121.143(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9189e-01