Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.36 L 0.33 K 0.09 F 0.07 Y 0.04 C 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 170.178 CA :: 42.946 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.490 CA :: 58.221(D) CB :: 63.861(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.664 HA :: 4.525 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.615 Ave N Shift Values>> N :: 116.28(3.52) 1.M3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 C 0.16 R 0.13 H 0.13 Q 0.08 E 0.06 V 0.01 HN Overlap>> 1.Q67 1.Q53 1.Q67 1.Q53 C Shift Assignments>> C :: 175.810(D) CA :: 55.674(D) CB :: 32.275(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.532(D) HA :: 4.345 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.561(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Y4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.26 C 0.19 I 0.12 E 0.04 L 0.02 N 0.02 M 0.01 C Shift Assignments>> C :: 175.330(D) CA :: 57.857(D) CB :: 38.540(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 :: 8.216(D) HA :: 4.564 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.228(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 C 0.1 F 0.08 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.750(D) CA :: 52.953(D) CB :: 38.81(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 :: 8.225(D) HA :: 4.586 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.075(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.19 C 0.18 Q 0.13 R 0.1 H 0.09 E 0.05 V 0.02 C Shift Assignments>> C :: 176.070(D) CA :: 56.680(D) CB :: 32.800(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 :: 8.095(D) HA :: 4.168 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 :: 121.551(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.32 F 0.3 C 0.17 I 0.11 L 0.05 N 0.02 E 0.01 C Shift Assignments>> C :: 175.630(D) CA :: 57.740(D) CB :: 39.220(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 :: 8.187(D) HA :: 4.625 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.366(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.24 C 0.22 K 0.02 R 0.01 M 0.01 C Shift Assignments>> C :: 175.180(D) CA :: 62.270(D) CB :: 32.900(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 :: 7.866(D) HA :: 4.027 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.406(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 C 0.11 Y 0.09 F 0.09 L 0.06 C Shift Assignments>> C :: 174.580(D) CA :: 53.370(D) CB :: 38.880(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 :: 8.286(D) HA :: 4.636 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.812(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.24 C 0.2 I 0.12 E 0.05 N 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 175.390(D) CA :: 57.856(D) CB :: 38.320(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 :: 8.111(D) HA :: 4.617 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 :: 121.010(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 Y 0.2 C 0.18 F 0.17 E 0.01 C Shift Assignments>> C :: 175.900(D) CA :: 60.975(D) CB :: 38.490(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 :: 8.088(D) HA :: 4.137 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 :: 123.200(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 R 0.19 I 0.16 Q 0.11 K 0.08 E 0.08 H 0.07 L 0.07 C Shift Assignments>> C :: 175.000(D) CA :: 58.759(D) CB :: 27.540(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.412(D) HA :: 4.432 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.569(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.360(D) CA :: 45.380(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.491(D) HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.810(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.670(D) CA :: 44.991(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.199(D) HA2 :: 3.944 HA3 :: 3.944 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.431(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 N 0.16 K 0.16 F 0.09 C 0.07 Y 0.06 R 0.05 C Shift Assignments>> C :: 175.540 CA :: 53.151(D) CB :: 41.630 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 :: 8.085(D) HA :: 4.612 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.699(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.43 V 0.37 C 0.14 I 0.01 C Shift Assignments>> C :: 176.520(D) CA :: 63.288(D) CB :: 31.860(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) N Shift Assignments>> N :: 135.735 Ave N Shift Values>> N :: 134.16(6.62) 1.N17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.64 C 0.11 Y 0.08 F 0.07 L 0.04 M 0.01 E 0.01 HN Overlap>> 1.S55 1.S55 C Shift Assignments>> C :: 175.410(D) CA :: 53.100(D) CB :: 38.521(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 :: 8.443(D) HA :: 4.675 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.221(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.27 Y 0.21 F 0.18 C 0.17 L 0.05 E 0.03 I 0.02 M 0.02 HN Overlap>> 1.L47 1.L58 1.L47 1.L58 C Shift Assignments>> C :: 177.140(D) CA :: 55.350(D) CB :: 38.470(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 :: 8.267(D) HA :: 4.282 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 :: 123.228(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 C 0.13 Y 0.1 F 0.09 L 0.04 E 0.02 M 0.01 HN Overlap>> 1.N21 1.S79 1.N21 1.S79 C Shift Assignments>> C :: 175.200(D) CA :: 53.650(D) CB :: 38.380(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 :: 8.354(D) HA :: 4.671 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.760(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 K 0.24 R 0.14 F 0.11 Y 0.07 C 0.06 N 0.02 C Shift Assignments>> C :: 177.140(D) CA :: 55.350(D) CB :: 42.150(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 :: 8.064(D) HA :: 4.288 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.913(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 C 0.12 Y 0.09 F 0.08 L 0.04 M 0.01 E 0.01 HN Overlap>> 1.N19 1.N19 1.S79 1.S79 C Shift Assignments>> C :: 174.660(D) CA :: 53.323(D) CB :: 38.490(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 :: 8.431(D) HA :: 4.682 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.750(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.17 K 0.16 R 0.13 H 0.13 Q 0.08 E 0.05 C Shift Assignments>> C :: 173.930 CA :: 54.290(D) CB :: 32.330 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 :: 8.110(D) HA :: 4.615 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.520(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> C 0.28 V 0.24 P 0.16 I 0.1 E 0.05 R 0.05 H 0.04 K 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 174.850 CA :: 61.670 CB :: 30.670 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) N Shift Assignments>> N :: 138.580 Ave N Shift Values>> N :: 134.16(6.62) 1.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.41 V 0.39 C 0.15 I 0.01 C Shift Assignments>> C :: 174.830(D) CA :: 63.090(D) CB :: 32.070(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) N Shift Assignments>> N :: 135.413 Ave N Shift Values>> N :: 134.16(6.62) 1.Q25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.15 E 0.14 R 0.13 C 0.12 M 0.05 I 0.01 L 0.01 C Shift Assignments>> C :: 175.860(D) CA :: 55.950(D) CB :: 29.380(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 :: 8.462(D) HA :: 4.270 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.583(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 K 0.21 R 0.18 F 0.09 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 177.250(D) CA :: 55.210(D) CB :: 42.350(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 :: 8.281(D) HA :: 4.270 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 :: 123.780(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 L 0.17 Q 0.16 C 0.13 H 0.11 K 0.1 E 0.07 I 0.01 M 0.01 C Shift Assignments>> C :: 174.420(D) CA :: 55.330(D) CB :: 27.750(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 :: 8.622(D) HA :: 4.703 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 :: 119.258(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 R 0.14 C 0.13 M 0.05 I 0.01 C Shift Assignments>> C :: 175.900(D) CA :: 56.110(D) CB :: 29.480(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 :: 8.484(D) HA :: 4.300 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.820(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.16 E 0.14 R 0.13 C 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 175.880(D) CA :: 56.010(D) CB :: 29.350(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 :: 8.537(D) HA :: 4.309 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 :: 122.070(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.14 E 0.14 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q70 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q70 1.Q34 1.Q68 1.Q39 1.Q34 1.Q68 1.Q39 C Shift Assignments>> C :: 175.840(D) CA :: 55.950(D) CB :: 29.520(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 :: 8.596(D) HA :: 4.290 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 :: 122.250(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.11 R 0.11 L 0.04 M 0.03 I 0.01 HN Overlap>> 1.H38 1.H41 1.Q40 1.H64 1.H35 1.H50 1.H38 1.H41 1.Q40 1.H64 1.H35 1.H50 C Shift Assignments>> C :: 174.370(D) CA :: 55.350(D) CB :: 28.830(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 :: 8.650(D) HA :: 4.707 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 :: 119.989(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.Q33 1.Q70 1.Q34 1.Q68 1.Q33 1.Q70 1.Q34 1.Q68 1.Q29 1.E73 1.Q29 1.E73 C Shift Assignments>> C :: 175.840(D) CA :: 56.100(D) CB :: 29.400(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 :: 8.538(D) HA :: 4.300 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 :: 122.147(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.Q36 1.Q42 1.Q36 1.Q42 1.Q37 1.Q70 1.Q30 1.Q34 1.Q68 1.Q32 1.Q39 1.E73 1.Q37 1.Q70 1.Q30 1.Q34 1.Q68 1.Q32 1.Q39 1.E73 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.550(D) HA :: 4.330 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 :: 122.200(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.Q36 1.Q42 1.Q33 1.Q37 1.Q70 1.Q30 1.Q36 1.Q42 1.Q33 1.Q37 1.Q70 1.Q30 1.Q68 1.Q32 1.Q39 1.Q68 1.Q32 1.Q39 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.590(D) HA :: 4.330 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 :: 122.200(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.12 R 0.11 M 0.03 L 0.03 I 0.01 HN Overlap>> 1.H38 1.H41 1.Q40 1.H64 1.H38 1.H41 1.Q40 1.H64 1.H50 1.H31 1.H50 1.H31 C Shift Assignments>> C :: 174.400(D) CA :: 55.400(D) CB :: 28.850(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 :: 8.666(D) HA :: 4.707 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.000(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.Q52 1.Q52 1.Q42 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q68 1.Q39 1.Q42 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q68 1.Q39 C Shift Assignments>> C :: 175.900(D) CA :: 56.050(D) CB :: 29.400(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 :: 8.550(D) HA :: 4.300 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 :: 122.277(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q42 1.Q33 1.Q52 1.Q36 1.Q42 1.Q33 1.Q70 1.Q30 1.Q34 1.Q68 1.Q39 1.Q70 1.Q30 1.Q34 1.Q68 1.Q39 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.590(D) HA :: 4.300 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 :: 122.250(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.12 R 0.11 M 0.03 L 0.03 I 0.01 HN Overlap>> 1.H41 1.Q40 1.H64 1.H35 1.H50 1.H31 1.H41 1.Q40 1.H64 1.H35 1.H50 1.H31 C Shift Assignments>> C :: 174.400(D) CA :: 55.400(D) CB :: 28.850(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 :: 8.660(D) HA :: 4.640 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.000(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q68 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q68 C Shift Assignments>> C :: 175.900(D) CA :: 56.100(D) CB :: 29.400(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 :: 8.550(D) HA :: 4.300 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 :: 122.300(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.H38 1.H41 1.H38 1.H41 1.H64 1.H35 1.H50 1.H31 1.H64 1.H35 1.H50 1.H31 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.590(D) HA :: 4.330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.000(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.12 R 0.11 M 0.03 L 0.03 I 0.01 HN Overlap>> 1.H38 1.H38 1.Q40 1.H64 1.H35 1.H50 1.H31 1.Q40 1.H64 1.H35 1.H50 1.H31 C Shift Assignments>> C :: 174.400(D) CA :: 55.400(D) CB :: 28.850(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 :: 8.660(D) HA :: 4.640 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.000(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q52 1.Q36 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q68 1.Q39 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q68 1.Q39 C Shift Assignments>> C :: 175.900(D) CA :: 56.050(D) CB :: 29.400(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 :: 8.550(D) HA :: 4.300 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 :: 122.300(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.H78 1.Q45 1.Q44 1.H78 1.Q45 1.Q44 1.Q46 1.Q46 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.520(D) HA :: 4.330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.200(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.H78 1.Q45 1.H78 1.Q45 1.Q43 1.Q46 1.Q43 1.Q46 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.520(D) HA :: 4.330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.200(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.H78 1.H78 1.Q44 1.Q43 1.Q46 1.Q44 1.Q43 1.Q46 C Shift Assignments>> C :: 175.900(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.520(D) HA :: 4.330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.200(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.15 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.H78 1.Q45 1.Q44 1.Q43 1.H78 1.Q45 1.Q44 1.Q43 C Shift Assignments>> C :: 175.870(D) CA :: 56.200(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.520(D) HA :: 4.330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.200(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 K 0.21 R 0.18 F 0.09 Y 0.06 C 0.05 N 0.02 HN Overlap>> 1.L18 1.L18 1.L58 1.L58 C Shift Assignments>> C :: 177.250(D) CA :: 55.330(D) CB :: 42.375(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 :: 8.265(D) HA :: 4.295 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 :: 123.315(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.11 R 0.1 L 0.05 M 0.03 I 0.01 C Shift Assignments>> C :: 174.400(D) CA :: 55.090(D) CB :: 28.680(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 :: 8.559(D) HA :: 4.680 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 :: 118.862(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 E 0.14 K 0.14 R 0.14 C 0.13 M 0.05 I 0.01 C Shift Assignments>> C :: 175.890(D) CA :: 56.090(D) CB :: 29.560(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 :: 8.436(D) HA :: 4.313 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.270(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.12 R 0.11 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.H38 1.H41 1.Q40 1.H64 1.H35 1.H38 1.H41 1.Q40 1.H64 1.H35 1.H31 1.H31 C Shift Assignments>> C :: 174.360(D) CA :: 55.420(D) CB :: 28.920(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 :: 8.703(D) HA :: 4.696 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 :: 119.999(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.15 E 0.14 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q42 1.Q52 1.Q36 1.Q42 1.Q68 1.Q39 1.Q68 1.Q39 C Shift Assignments>> C :: 175.790(D) CA :: 56.100(D) CB :: 29.500(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) H Shift Assignments>> H :: 8.505(D) HA :: 4.310 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 :: 122.338(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.15 E 0.14 R 0.14 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.Q36 1.Q42 1.Q37 1.Q51 1.Q70 1.Q30 1.Q68 1.Q39 1.Q36 1.Q42 1.Q37 1.Q51 1.Q70 1.Q30 1.Q68 1.Q39 C Shift Assignments>> C :: 175.760(D) CA :: 56.033(D) CB :: 29.480(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 :: 8.595(D) HA :: 4.300 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 :: 122.340(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.15 R 0.14 E 0.13 C 0.12 M 0.05 L 0.01 I 0.01 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 175.670(D) CA :: 55.660(D) CB :: 29.430(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 :: 8.538(D) HA :: 4.300 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 :: 122.523(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.19 K 0.19 F 0.08 Y 0.05 C 0.05 N 0.02 G 0.01 C Shift Assignments>> C :: 177.140(D) CA :: 54.910(D) CB :: 42.450(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 :: 8.418(D) HA :: 4.387 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 :: 124.543(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.N17 1.N17 C Shift Assignments>> C :: 173.040 CA :: 56.350 CB :: 63.530 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.393(D) HA :: 4.730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.310(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.44 V 0.38 C 0.13 I 0.01 C Shift Assignments>> C :: 176.680(D) CA :: 63.530(D) CB :: 31.970(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) N Shift Assignments>> N :: 137.896 Ave N Shift Values>> N :: 134.16(6.62) 1.N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 C 0.13 Y 0.08 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.720(D) CA :: 53.310(D) CB :: 38.210(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 :: 8.475(D) HA :: 4.660 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.402(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 K 0.26 F 0.13 Y 0.09 R 0.09 C 0.06 N 0.02 HN Overlap>> 1.L18 1.L47 1.L18 1.L47 C Shift Assignments>> C :: 178.130(D) CA :: 55.860(D) CB :: 41.890(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 :: 8.250(D) HA :: 4.290 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 :: 123.272(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.120(D) CA :: 59.460(D) CB :: 63.570(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.250(D) HA :: 4.330 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.834(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 178.090(D) CA :: 52.990(D) CB :: 18.750(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.117(D) HA :: 4.230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.986(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 K 0.26 F 0.12 R 0.11 Y 0.08 C 0.06 N 0.02 C Shift Assignments>> C :: 177.500(D) CA :: 55.634(D) CB :: 41.990(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.830(D) HA :: 4.171 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.385(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.11 R 0.1 L 0.05 M 0.03 I 0.01 C Shift Assignments>> C :: 174.430 CA :: 55.109(D) CB :: 28.670 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 :: 8.216(D) HA :: 4.640 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 :: 117.472(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.16 C 0.12 E 0.12 R 0.12 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 174.463 CA :: 55.430 CB :: 29.090 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 :: 8.370 HA :: 4.590 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 :: 118.954 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.16 E 0.13 C 0.12 R 0.12 M 0.04 L 0.02 I 0.01 HN Overlap>> 1.H38 1.H41 1.Q40 1.H38 1.H41 1.Q40 1.H35 1.H50 1.H31 1.H35 1.H50 1.H31 C Shift Assignments>> C :: 174.290 CA :: 55.590 CB :: 29.090 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 :: 8.630 HA :: 4.734 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.045 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.12 R 0.11 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 174.308(D) CA :: 55.700(D) CB :: 28.931(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 :: 8.690 HA :: 4.640 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.890 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.15 E 0.14 R 0.14 C 0.13 M 0.05 I 0.01 C Shift Assignments>> C :: 175.730(D) CA :: 55.990(D) CB :: 29.440(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 :: 8.570(D) HA :: 4.230 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 :: 122.902(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.01 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 175.920(D) CA :: 56.090(D) CB :: 29.430(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 :: 8.588(D) HA :: 4.300 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 :: 122.658(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.13 H 0.11 Q 0.11 L 0.1 R 0.1 K 0.09 E 0.07 C 0.06 F 0.05 Y 0.05 S 0.02 N 0.02 A 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q51 1.Q70 1.Q30 1.Q34 1.Q32 1.Q39 1.E73 1.Q32 1.Q39 1.E73 C Shift Assignments>> C :: 175.952(D) CA :: 56.110(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 :: 8.543(D) HA :: 4.310 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 :: 122.250(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 R 0.14 C 0.13 M 0.05 I 0.01 C Shift Assignments>> C :: 175.950(D) CA :: 56.150(D) CB :: 29.480(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 :: 8.519(D) HA :: 4.306 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.934(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.16 E 0.14 R 0.13 C 0.12 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q52 1.Q36 1.Q42 1.Q33 1.Q37 1.Q30 1.Q34 1.Q68 1.Q32 1.Q39 1.Q30 1.Q34 1.Q68 1.Q32 1.Q39 C Shift Assignments>> C :: 175.907(D) CA :: 55.960(D) CB :: 29.330(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 :: 8.581(D) HA :: 4.300 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 :: 122.251(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 K 0.23 R 0.16 F 0.1 Y 0.07 C 0.06 N 0.02 C Shift Assignments>> C :: 177.320(D) CA :: 55.460(D) CB :: 42.280(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 :: 8.337(D) HA :: 4.330 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 :: 124.002(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 E 0.15 C 0.14 Q 0.14 M 0.1 K 0.07 C Shift Assignments>> C :: 176.310(D) CA :: 56.160(D) CB :: 30.510(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.372(D) HA :: 4.331 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.978(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 E 0.15 R 0.15 C 0.13 K 0.13 M 0.06 I 0.01 HN Overlap>> 1.Q33 1.Q68 1.Q32 1.Q33 1.Q68 1.Q32 C Shift Assignments>> C :: 176.500(D) CA :: 56.390(D) CB :: 29.710(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 :: 8.470(D) HA :: 4.330 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.184(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.200(D) CA :: 58.520(D) CB :: 64.030(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.458(D) HA :: 4.460 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 :: 117.186(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.740(D) CA :: 45.490(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.514(D) HA2 :: 4.011 HA3 :: 4.011 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.974(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.280(D) CA :: 45.190(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.300(D) HA2 :: 3.985 HA3 :: 3.985 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.619(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.490 CA :: 58.375(D) CB :: 63.631 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.261(D) HA :: 4.396 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.464(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 E 0.1 R 0.1 L 0.06 M 0.03 I 0.01 HN Overlap>> 1.Q45 1.Q44 1.Q43 1.Q46 1.Q45 1.Q44 1.Q43 1.Q46 C Shift Assignments>> C :: 174.160(D) CA :: 55.106(D) CB :: 28.618(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 :: 8.593 HA :: 4.770 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.240 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.N19 1.N21 1.N19 1.N21 C Shift Assignments>> C :: 172.880 CA :: 56.511(D) CB :: 63.318 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.424(D) HA :: 4.730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.801(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.45 V 0.38 C 0.13 I 0.01 C Shift Assignments>> C :: 176.980(D) CA :: 63.511(D) CB :: 31.890(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) N Shift Assignments>> N :: 138.151 Ave N Shift Values>> N :: 134.16(6.62) 1.S81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.270(D) CA :: 58.305(D) CB :: 63.940(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376(D) HA :: 4.460 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.499(D) Ave N Shift Values>> N :: 116.28(3.52) 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 :: 172.840 CA :: 56.450(D) CB :: 63.490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.246(D) HA :: 4.780 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.567(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.46 V 0.38 C 0.12 I 0.01 C Shift Assignments>> C :: 177.720(D) CA :: 63.770(D) CB :: 31.820(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) N Shift Assignments>> N :: 138.409 Ave N Shift Values>> N :: 134.16(6.62) 1.G84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.930(D) CA :: 45.318(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.526(D) HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.445(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.900(D) CA :: 45.324(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.305(D) HA2 :: 3.990 HA3 :: 3.990 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.781(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G87 1.G88 1.G87 1.G88 C Shift Assignments>> C :: 174.967(D) CA :: 45.316(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.403(D) HA2 :: 4.000 HA3 :: 4.000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.851(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G86 1.G86 1.G88 1.G88 C Shift Assignments>> C :: 174.958(D) CA :: 45.326(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.403(D) HA2 :: 3.990 HA3 :: 3.990 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.865(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G86 1.G87 1.G86 1.G87 C Shift Assignments>> C :: 174.800(D) CA :: 45.357(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.414(D) HA2 :: 4.011 HA3 :: 4.011 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.944(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.520(D) CA :: 45.270(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.358(D) HA2 :: 3.990 HA3 :: 3.990 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.331(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 S 0.14 I 0.12 Y 0.11 F 0.11 V 0.08 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.860(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.937(D) HA :: 4.327 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.000(D) Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 4 #Clerical: 86 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 90 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 90 #Suspicious: 0 C Shift Results: #Consistent: 27 #Duplicate: 229 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 98 #Duplicate: 78 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 11 #Duplicate: 78 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S2 CA = 58.221(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0951e-01 1.S2 CB = 63.861(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6712e-01 1.M3 C = 175.810(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.5948e-01 1.M3 CA = 55.674(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.4499e-01 1.M3 CB = 32.275(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.4958e-01 1.M3 H = 8.532(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5031e-01 1.M3 N = 122.561(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.8884e-01 1.Y4 C = 175.330(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.7194e-01 1.Y4 CA = 57.857(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.1339e-01 1.Y4 CB = 38.540(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.1802e-01 1.Y4 H = 8.216(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.8671e-01 1.Y4 N = 121.228(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6613e-01 1.N5 C = 174.750(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.7143e-01 1.N5 CA = 52.953(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5486e-01 1.N5 CB = 38.81(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4339e-01 1.N5 H = 8.225(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.5516e-01 1.N5 N = 121.075(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.9455e-01 1.K6 C = 176.070(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7564e-01 1.K6 CA = 56.680(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0232e-01 1.K6 CB = 32.800(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9552e-01 1.K6 H = 8.095(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7419e-01 1.K6 N = 121.551(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9428e-01 1.F7 C = 175.630(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.1596e-01 1.F7 CA = 57.740(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.9475e-01 1.F7 CB = 39.220(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1256e-01 1.F7 H = 8.187(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.1011e-01 1.F7 N = 120.366(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.8397e-01 1.V8 C = 175.180(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1687e-01 1.V8 CA = 62.270(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3868e-01 1.V8 CB = 32.900(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2434e-01 1.V8 H = 7.866(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2684e-01 1.V8 N = 121.406(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5328e-01 1.N9 C = 174.580(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.9989e-01 1.N9 CA = 53.370(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.2795e-01 1.N9 CB = 38.880(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1049e-01 1.N9 H = 8.286(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.3169e-01 1.N9 N = 121.812(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7452e-01 1.F10 C = 175.390(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.8797e-01 1.F10 CA = 57.856(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3054e-01 1.F10 CB = 38.320(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.2427e-01 1.F10 H = 8.111(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2947e-01 1.F10 N = 121.010(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9343e-01 1.I11 C = 175.900(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.7922e-01 1.I11 CA = 60.975(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1270e-01 1.I11 CB = 38.490(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4475e-01 1.I11 H = 8.088(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7767e-01 1.I11 N = 123.200(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8434e-01 1.C12 C = 175.000(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.8073e-01 1.C12 CA = 58.759(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.9037e-01 1.C12 CB = 27.540(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.1015e-01 1.C12 H = 8.412(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.7381e-01 1.C12 N = 123.569(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.6384e-01 1.G13 C = 174.360(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9437e-01 1.G13 CA = 45.380(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8214e-01 1.G13 H = 8.491(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0437e-01 1.G13 N = 111.810(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8028e-01 1.G14 C = 173.670(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1528e-01 1.G14 CA = 44.991(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8877e-01 1.G14 H = 8.199(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4028e-01 1.G14 N = 108.431(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4885e-01 1.L15 CA = 53.151(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4639e-01 1.L15 H = 8.085(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2348e-01 1.L15 N = 122.699(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2967e-01 1.P16 C = 176.520(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.7894e-01 1.P16 CA = 63.288(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.7796e-01 1.P16 CB = 31.860(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.9324e-01 1.N17 C = 175.410(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.3766e-01 1.N17 CA = 53.100(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1495e-01 1.N17 CB = 38.521(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.2034e-01 1.N17 H = 8.443(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.7013e-01 1.N17 N = 118.221(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.6035e-01 1.L18 C = 177.140(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3961e-01 1.L18 CA = 55.350(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9913e-01 1.L18 CB = 38.470(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1097e-02 1.L18 H = 8.267(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5461e-01 1.L18 N = 123.228(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2576e-01 1.N19 C = 175.200(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6881e-01 1.N19 CA = 53.650(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.5334e-01 1.N19 CB = 38.380(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5446e-01 1.N19 H = 8.354(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8227e-01 1.N19 N = 118.760(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.6635e-01 1.L20 C = 177.140(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3961e-01 1.L20 CA = 55.350(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9913e-01 1.L20 CB = 42.150(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3218e-01 1.L20 H = 8.064(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9843e-01 1.L20 N = 121.913(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8916e-01 1.N21 C = 174.660(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.3327e-01 1.N21 CA = 53.323(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0811e-01 1.N21 CB = 38.490(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.0580e-01 1.N21 H = 8.431(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.8515e-01 1.N21 N = 118.750(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.6437e-01 1.K22 CA = 54.290(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2663e-01 1.K22 H = 8.110(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.9393e-01 1.K22 N = 122.520(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9660e-01 1.P24 C = 174.830(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.0354e-01 1.P24 CA = 63.090(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7454e-01 1.P24 CB = 32.070(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5210e-01 1.Q25 C = 175.860(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.1749e-01 1.Q25 CA = 55.950(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7203e-01 1.Q25 CB = 29.380(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.1686e-01 1.Q25 H = 8.462(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8168e-01 1.Q25 N = 120.583(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4735e-01 1.L26 C = 177.250(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9553e-01 1.L26 CA = 55.210(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4736e-01 1.L26 CB = 42.350(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8303e-01 1.L26 H = 8.281(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3746e-01 1.L26 N = 123.780(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2250e-01 1.H27 C = 174.420(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.7352e-01 1.H27 CA = 55.330(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.0645e-01 1.H27 CB = 27.750(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.2902e-01 1.H27 H = 8.622(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.7428e-01 1.H27 N = 119.258(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.1400e-01 1.Q28 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q28 CA = 56.110(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2980e-01 1.Q28 CB = 29.480(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7340e-01 1.Q28 H = 8.484(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5454e-01 1.Q28 N = 121.820(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9188e-01 1.Q29 C = 175.880(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2547e-01 1.Q29 CA = 56.010(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9357e-01 1.Q29 CB = 29.350(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2995e-01 1.Q29 H = 8.537(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.9107e-01 1.Q29 N = 122.070(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.4481e-01 1.Q30 C = 175.840(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.0954e-01 1.Q30 CA = 55.950(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7203e-01 1.Q30 CB = 29.520(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5612e-01 1.Q30 H = 8.596(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.2394e-01 1.Q30 N = 122.250(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1211e-01 1.H31 C = 174.370(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.5509e-01 1.H31 CA = 55.350(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.1251e-01 1.H31 CB = 28.830(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.9577e-01 1.H31 H = 8.650(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.4655e-01 1.H31 N = 119.989(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.4041e-01 1.Q32 C = 175.840(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.0954e-01 1.Q32 CA = 56.100(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2616e-01 1.Q32 CB = 29.400(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q32 H = 8.538(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8990e-01 1.Q32 N = 122.147(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.3070e-01 1.Q33 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q33 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q33 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q33 H = 8.550(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7594e-01 1.Q33 N = 122.200(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2109e-01 1.Q34 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q34 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q34 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q34 H = 8.590(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3058e-01 1.Q34 N = 122.200(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2109e-01 1.H35 C = 174.400(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.6612e-01 1.H35 CA = 55.400(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.2778e-01 1.H35 CB = 28.850(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.0190e-01 1.H35 H = 8.666(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.3101e-01 1.H35 N = 120.000(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3823e-01 1.Q36 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q36 CA = 56.050(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.0801e-01 1.Q36 CB = 29.400(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q36 H = 8.550(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7594e-01 1.Q36 N = 122.277(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0730e-01 1.Q37 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q37 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q37 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q37 H = 8.590(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3058e-01 1.Q37 N = 122.250(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1211e-01 1.H38 C = 174.400(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.6612e-01 1.H38 CA = 55.400(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.2778e-01 1.H38 CB = 28.850(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.0190e-01 1.H38 H = 8.660(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.3681e-01 1.H38 N = 120.000(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3823e-01 1.Q39 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q39 CA = 56.100(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2616e-01 1.Q39 CB = 29.400(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q39 H = 8.550(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7594e-01 1.Q39 N = 122.300(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0321e-01 1.Q40 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q40 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q40 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q40 H = 8.590(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3058e-01 1.Q40 N = 120.000(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7562e-01 1.H41 C = 174.400(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.6612e-01 1.H41 CA = 55.400(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.2778e-01 1.H41 CB = 28.850(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.0190e-01 1.H41 H = 8.660(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.3681e-01 1.H41 N = 120.000(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3823e-01 1.Q42 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q42 CA = 56.050(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.0801e-01 1.Q42 CB = 29.400(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q42 H = 8.550(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7594e-01 1.Q42 N = 122.300(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0321e-01 1.Q43 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q43 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q43 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q43 H = 8.520(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1112e-01 1.Q43 N = 120.200(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3138e-01 1.Q44 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q44 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q44 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q44 H = 8.520(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1112e-01 1.Q44 N = 120.200(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3138e-01 1.Q45 C = 175.900(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q45 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q45 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q45 H = 8.520(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1112e-01 1.Q45 N = 120.200(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3138e-01 1.Q46 C = 175.870(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2148e-01 1.Q46 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q46 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q46 H = 8.520(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1112e-01 1.Q46 N = 120.200(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3138e-01 1.L47 C = 177.250(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9553e-01 1.L47 CA = 55.330(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9170e-01 1.L47 CB = 42.375(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7242e-01 1.L47 H = 8.265(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5706e-01 1.L47 N = 123.315(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0909e-01 1.H48 C = 174.400(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.6612e-01 1.H48 CA = 55.090(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.3589e-01 1.H48 CB = 28.680(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.5108e-01 1.H48 H = 8.559(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.3899e-01 1.H48 N = 118.862(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.3601e-01 1.Q49 C = 175.890(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2947e-01 1.Q49 CA = 56.090(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2252e-01 1.Q49 CB = 29.560(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3890e-01 1.Q49 H = 8.436(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1429e-01 1.Q49 N = 121.270(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0147e-01 1.H50 C = 174.360(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.5143e-01 1.H50 CA = 55.420(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.3394e-01 1.H50 CB = 28.920(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.2368e-01 1.H50 H = 8.703(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.9595e-01 1.H50 N = 119.999(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3842e-01 1.Q51 C = 175.790(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8973e-01 1.Q51 CA = 56.100(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2616e-01 1.Q51 CB = 29.500(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6475e-01 1.Q51 H = 8.505(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2906e-01 1.Q51 N = 122.338(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.9650e-01 1.Q52 C = 175.760(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.7790e-01 1.Q52 CA = 56.033(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.0186e-01 1.Q52 CB = 29.480(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7340e-01 1.Q52 H = 8.595(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.2504e-01 1.Q52 N = 122.340(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.9615e-01 1.Q53 C = 175.670(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4276e-01 1.Q53 CA = 55.660(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.7067e-01 1.Q53 CB = 29.430(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.9509e-01 1.Q53 H = 8.538(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8990e-01 1.Q53 N = 122.523(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6454e-01 1.L54 C = 177.140(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3961e-01 1.L54 CA = 54.910(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3888e-01 1.L54 CB = 42.450(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.4064e-01 1.L54 H = 8.418(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7240e-01 1.L54 N = 124.543(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9149e-01 1.S55 H = 8.393(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4811e-01 1.S55 N = 118.310(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.6414e-01 1.P56 C = 176.680(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6303e-01 1.P56 CA = 63.530(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9532e-01 1.P56 CB = 31.970(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.1900e-01 1.N57 C = 175.720(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.0151e-01 1.N57 CA = 53.310(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0263e-01 1.N57 CB = 38.210(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.7639e-01 1.N57 H = 8.475(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3032e-01 1.N57 N = 118.402(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.9576e-01 1.L58 C = 178.130(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6478e-01 1.L58 CA = 55.860(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1029e-01 1.L58 CB = 41.890(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2322e-01 1.L58 H = 8.250(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7545e-01 1.L58 N = 123.272(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1731e-01 1.S59 C = 175.120(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7128e-01 1.S59 CA = 59.460(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2073e-01 1.S59 CB = 63.570(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7650e-01 1.S59 H = 8.250(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5945e-01 1.S59 N = 115.834(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9917e-01 1.A60 C = 178.090(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6948e-01 1.A60 CA = 52.990(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3961e-01 1.A60 CB = 18.750(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A60 H = 8.117(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8998e-01 1.A60 N = 124.986(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1986e-01 1.L61 C = 177.500(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.9673e-01 1.L61 CA = 55.634(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9476e-01 1.L61 CB = 41.990(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6484e-01 1.L61 H = 7.830(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.3830e-01 1.L61 N = 119.385(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.2568e-01 1.H62 CA = 55.109(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.4132e-01 1.H62 H = 8.216(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.7185e-01 1.H62 N = 117.472(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.7924e-01 1.H65 C = 174.308(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.3253e-01 1.H65 CA = 55.700(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.2261e-01 1.H65 CB = 28.931(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.2715e-01 1.Q66 C = 175.730(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.6613e-01 1.Q66 CA = 55.990(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8637e-01 1.Q66 CB = 29.440(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.9074e-01 1.Q66 H = 8.570(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.5303e-01 1.Q66 N = 122.902(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.0278e-01 1.Q67 C = 175.920(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.4148e-01 1.Q67 CA = 56.090(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2252e-01 1.Q67 CB = 29.430(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.9509e-01 1.Q67 H = 8.588(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3281e-01 1.Q67 N = 122.658(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4196e-01 1.Q68 C = 175.952(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.5434e-01 1.Q68 CA = 56.110(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2980e-01 1.Q68 H = 8.543(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8406e-01 1.Q68 N = 122.250(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1211e-01 1.Q69 C = 175.950(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.5353e-01 1.Q69 CA = 56.150(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4441e-01 1.Q69 CB = 29.480(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7340e-01 1.Q69 H = 8.519(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1231e-01 1.Q69 N = 121.934(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.7019e-01 1.Q70 C = 175.907(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3627e-01 1.Q70 CA = 55.960(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7561e-01 1.Q70 CB = 29.330(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.3868e-01 1.Q70 H = 8.581(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.4063e-01 1.Q70 N = 122.251(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1193e-01 1.L71 C = 177.320(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.6763e-01 1.L71 CA = 55.460(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.4012e-01 1.L71 CB = 42.280(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8727e-01 1.L71 H = 8.337(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6925e-01 1.L71 N = 124.002(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8285e-01 1.R72 C = 176.310(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6071e-01 1.R72 CA = 56.160(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.9173e-01 1.R72 CB = 30.510(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.1731e-01 1.R72 H = 8.372(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.2868e-01 1.R72 N = 121.978(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4889e-01 1.E73 C = 176.500(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4951e-01 1.E73 CA = 56.390(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.5634e-01 1.E73 CB = 29.710(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6154e-01 1.E73 H = 8.470(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1243e-01 1.E73 N = 122.184(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6352e-01 1.S74 C = 175.200(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3596e-01 1.S74 CA = 58.520(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2303e-01 1.S74 CB = 64.030(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7650e-01 1.S74 H = 8.458(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6288e-01 1.S74 N = 117.186(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9688e-01 1.G75 C = 174.740(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4353e-01 1.G75 CA = 45.490(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1679e-01 1.G75 H = 8.514(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7712e-01 1.G75 N = 110.974(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3615e-01 1.G76 C = 174.280(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.2736e-01 1.G76 CA = 45.190(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0496e-01 1.G76 H = 8.300(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6319e-01 1.G76 N = 108.619(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8595e-01 1.S77 CA = 58.375(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6763e-01 1.S77 H = 8.261(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7431e-01 1.S77 N = 115.464(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1668e-01 1.H78 C = 174.160(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.8006e-01 1.H78 CA = 55.106(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.4046e-01 1.H78 CB = 28.618(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.3329e-01 1.S79 CA = 56.511(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8590e-01 1.S79 H = 8.424(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0718e-01 1.S79 N = 118.801(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.7387e-01 1.P80 C = 176.980(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.7894e-01 1.P80 CA = 63.511(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0521e-01 1.P80 CB = 31.890(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.7296e-01 1.S81 C = 174.270(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3875e-01 1.S81 CA = 58.305(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.4110e-01 1.S81 CB = 63.940(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.2464e-01 1.S81 H = 8.376(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7075e-01 1.S81 N = 115.499(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2441e-01 1.S82 CA = 56.450(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7281e-01 1.S82 H = 8.246(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5405e-01 1.S82 N = 118.567(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1588e-01 1.P83 C = 177.720(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.2062e-01 1.P83 CA = 63.770(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7222e-01 1.P83 CB = 31.820(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.7972e-01 1.G84 C = 174.930(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.7287e-01 1.G84 CA = 45.318(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8095e-01 1.G84 H = 8.526(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6300e-01 1.G84 N = 109.445(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5364e-01 1.G85 C = 174.900(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8378e-01 1.G85 CA = 45.324(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8452e-01 1.G85 H = 8.305(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6932e-01 1.G85 N = 108.781(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1831e-01 1.G86 C = 174.967(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5955e-01 1.G86 CA = 45.316(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7976e-01 1.G86 H = 8.403(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1058e-01 1.G86 N = 108.851(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3240e-01 1.G87 C = 174.958(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6278e-01 1.G87 CA = 45.326(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8571e-01 1.G87 H = 8.403(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1058e-01 1.G87 N = 108.865(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3522e-01 1.G88 C = 174.800(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2083e-01 1.G88 CA = 45.357(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9583e-01 1.G88 H = 8.414(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9718e-01 1.G88 N = 108.944(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5119e-01 1.G89 C = 173.520(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5231e-01 1.G89 CA = 45.270(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5239e-01 1.G89 H = 8.358(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6564e-01 1.G89 N = 109.331(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3020e-01 1.S90 CA = 59.860(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8182e-01 1.S90 H = 7.937(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.6100e-01 1.S90 N = 121.000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7995e-01