Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.480 CA :: 62.778 CB :: 32.367 CG :: 27.261 CD :: 50.710 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) H Shift Assignments>> HA :: 4.435 HB2 :: 2.138 HB3 :: 1.472 HG2 :: 1.757 HG3 :: 1.757 HD2 :: 3.850 HD3 :: 3.594 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 175.737 CA :: 56.339 CB :: 33.365 CG :: 24.820 CD :: 29.665 CE :: 42.169 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 :: 8.202 HA :: 4.344 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 1.465 HG3 :: 1.293 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.016 HE3 :: 3.016 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 :: 121.400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.21 G 0.02 C Shift Assignments>> C :: 176.454 CA :: 56.654 CB :: 42.342 CD1 :: 132.162 CD2 :: 132.162 CE1 :: 131.100 CE2 :: 131.100 CZ :: 128.021 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 :: 8.378 HA :: 5.712 HB2 :: 3.063 HB3 :: 3.063 HD1 :: 7.330 HD2 :: 7.330 HE1 :: 7.213 HE2 :: 7.213 HZ :: 6.985 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.096 Ave N Shift Values>> N :: 120.45(4.18) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.19 G 0.02 C Shift Assignments>> C :: 174.405 CA :: 55.673 CB :: 42.400 CD1 :: 132.177 CD2 :: 132.177 CE1 :: 130.187 CE2 :: 130.187 CZ :: 127.966 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.476 HA :: 5.579 HB2 :: 3.071 HB3 :: 3.071 HD1 :: 7.331 HD2 :: 7.331 HE1 :: 7.241 HE2 :: 7.241 HZ :: 7.010 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.314 Ave N Shift Values>> N :: 120.45(4.18) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 176.337 CA :: 56.991 CB :: 41.713 CD1 :: 134.422 CD2 :: 134.422 CE1 :: 117.905 CE2 :: 117.905 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 :: 10.029 HA :: 5.403 HB2 :: 3.297 HB3 :: 3.127 HD1 :: 7.203 HD2 :: 7.203 HE1 :: 6.765 HE2 :: 6.765 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.608 Ave N Shift Values>> N :: 120.52(4.2) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 Y 0.16 C 0.16 F 0.15 C Shift Assignments>> C :: 174.068 CA :: 61.848 CB :: 38.990 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 :: 9.800 HA :: 4.686 HB :: 1.514 HG12 :: 1.788 HG13 :: 0.867 HG21 :: 0.501 HG22 :: 0.501 HG23 :: 0.501 HD11 :: 0.003 HD12 :: 0.003 HD13 :: 0.003 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 :: 121.905 Ave N Shift Values>> N :: 121.46(4.28) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.42 R 0.01 C Shift Assignments>> C :: 175.737 CA :: 55.015 CB :: 34.996 CE :: 41.372 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.708 HA :: 5.069 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 1.800 HD3 :: 1.800 HE2 :: 2.655 HE3 :: 2.655 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.913 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.390 CA :: 58.131 CB :: 64.175 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.498 HA :: 4.383 HB2 :: 3.801 HB3 :: 3.801 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 :: 120.370 Ave N Shift Values>> N :: 116.28(3.52) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 I 0.15 K 0.02 C Shift Assignments>> C :: 176.607 CA :: 58.922 CB :: 29.977 CG :: 37.020 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 :: 8.203 HA :: 4.210 HB2 :: 2.165 HB3 :: 1.884 HG2 :: 2.202 HG3 :: 2.202 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 :: 129.398 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 G 0.04 C Shift Assignments>> C :: 177.339 CA :: 57.180 CB :: 42.898 CG :: 26.169 CD1 :: 23.704 CD2 :: 23.704 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 :: 7.685 HA :: 4.152 HB2 :: 1.646 HB3 :: 1.203 HG :: 1.485 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.969 HD22 :: 0.969 HD23 :: 0.969 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 :: 118.216 Ave N Shift Values>> N :: 121.86(3.9) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.27 L 0.07 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.505 CA :: 51.415 CB :: 39.855 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 :: 7.019 HA :: 5.044 HB2 :: 3.314 HB3 :: 2.608 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 :: 109.201 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.593 CA :: 46.490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.091 HA2 :: 4.175 HA3 :: 3.918 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.594 Ave N Shift Values>> N :: 109.67(3.87) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.29 C 0.24 K 0.21 E 0.06 H 0.05 R 0.05 W 0.02 V 0.01 Y 0.01 C Shift Assignments>> C :: 174.661(D) CA :: 55.629(D) CB :: 34.191(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 :: 8.044(D) HA :: 4.585(D) HB2 :: 1.948(D) HB3 :: 1.857(D) HG2 :: 1.454(D) HG3 :: 1.308(D) HD2 :: 1.613(D) HD3 :: 1.613(D) HE2 :: 2.945(D) HE3 :: 2.945(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 :: 120.473(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.27 K 0.2 Q 0.18 V 0.09 R 0.06 W 0.06 H 0.05 E 0.03 C Shift Assignments>> CA :: 58.498(D) CB :: 33.460 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 :: 9.011(D) HA :: 5.863(D) HB :: 3.229(S) HG11 :: 1.300(D) HG12 :: 1.300(D) HG13 :: 1.300(D) HG21 :: 0.883(D) HG22 :: 0.883(D) HG23 :: 0.883(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 :: 109.822(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.7 C 0.28 C Shift Assignments>> C :: 179.274 CA :: 57.686 CB :: 41.823 CD1 :: 23.733 CD2 :: 23.733 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>> HA :: 4.814 HB2 :: 1.781 HB3 :: 1.609 HG :: 1.584 HD11 :: 0.482 HD12 :: 0.482 HD13 :: 0.482 HD21 :: 0.347 HD22 :: 0.347 HD23 :: 0.347 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) 1.D16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.11 C 0.03 C Shift Assignments>> C :: 174.332(D) CA :: 53.443(D) CB :: 46.083(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.182(D) HA :: 5.347(D) HB2 :: 2.820(D) HB3 :: 2.615(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 :: 125.420(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.76 C 0.22 C Shift Assignments>> C :: 175.890(D) CA :: 63.070(D) CB :: 38.255 CG2 :: 18.743(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 :: 8.523(D) HA :: 4.204(D) HB :: 1.531 HG12 :: 1.810(D) HG13 :: 1.810(D) HG21 :: 0.989(D) HG22 :: 0.989(D) HG23 :: 0.989(D) HD11 :: 0.776(D) HD12 :: 0.776(D) HD13 :: 0.776(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 :: 123.306(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> C :: 176.454 CA :: 46.702 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.653 HA2 :: 4.022 HA3 :: 3.631 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.898 Ave N Shift Values>> N :: 109.67(3.87) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.932 CA :: 46.563 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.704 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 :: 115.898 Ave N Shift Values>> N :: 109.67(3.87) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.23 E 0.14 R 0.04 I 0.01 HN Overlap>> 1.N122 1.N122 C Shift Assignments>> C :: 173.439 CA :: 55.820 CB :: 28.265 CG :: 34.670 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 :: 8.460 HA :: 3.346 HB2 :: 2.178 HB3 :: 2.178 HG2 :: 2.196 HG3 :: 2.196 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.246 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.22 C 0.07 L 0.05 F 0.03 Y 0.03 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> CA :: 51.298 CB :: 39.460 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 :: 6.599 HA :: 4.692 HB2 :: 3.387 HB3 :: 2.757 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 :: 118.498 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.812 CA :: 62.909 CB :: 32.296 CG :: 26.344 CD :: 50.191 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) H Shift Assignments>> HA :: 4.340 HB2 :: 2.116 HB3 :: 2.116 HG2 :: 1.944 HG3 :: 1.944 HD2 :: 3.996 HD3 :: 3.996 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> CA :: 51.509 CB :: 17.896 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.149 HA :: 4.700 HB1 :: 1.498 HB2 :: 1.498 HB3 :: 1.498 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.022 Ave N Shift Values>> N :: 123.23(3.54) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.893 CA :: 64.050 CB :: 32.135 CG :: 27.794 CD :: 50.916 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) H Shift Assignments>> HA :: 4.447 HB2 :: 2.402 HB3 :: 2.402 HG2 :: 2.163 HG3 :: 2.163 HD2 :: 3.927 HD3 :: 3.927 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.493 CA :: 45.729 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.523 HA2 :: 4.205 HA3 :: 3.887 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.904 Ave N Shift Values>> N :: 109.67(3.87) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.373 CA :: 59.485 CB :: 63.319 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.301 HA :: 4.579 HB2 :: 3.958 HB3 :: 3.958 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 :: 117.404 Ave N Shift Values>> N :: 116.28(3.52) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.2 G 0.01 C Shift Assignments>> C :: 176.329 CA :: 57.099 CB :: 33.159 CG :: 25.524 CD :: 29.078 CE :: 42.438 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 :: 8.764 HA :: 4.563 HB2 :: 2.057 HB3 :: 2.057 HG2 :: 1.794 HG3 :: 1.794 HD2 :: 1.830 HD3 :: 1.830 HE2 :: 3.173 HE3 :: 3.173 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 :: 124.134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.21 C 0.18 F 0.18 E 0.01 C Shift Assignments>> C :: 174.475 CA :: 60.773 CB :: 38.471 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 :: 7.437 HA :: 5.005 HB :: 1.589 HG12 :: 2.031 HG13 :: 2.031 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 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 :: 121.902 Ave N Shift Values>> N :: 121.46(4.28) 1.I29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 F 0.19 K 0.16 Y 0.13 C 0.11 L 0.08 I 0.05 G 0.02 D 0.01 C Shift Assignments>> C :: 176.915(D) CA :: 59.710(D) CB :: 42.627(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 :: 9.733(D) HA :: 5.457(D) HB :: 2.446(D) HG12 :: 1.337(D) HG13 :: 1.337(D) HG21 :: 0.995(D) HG22 :: 0.995(D) HG23 :: 0.995(D) HD11 :: 0.970(D) HD12 :: 0.970(D) HD13 :: 0.970(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.987(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 174.654(D) CA :: 59.208(D) CB :: 70.080(D) CG2 :: 22.442(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 :: 7.991(D) HA :: 5.676(D) HB :: 4.229(D) HG21 :: 1.214(D) HG22 :: 1.214(D) HG23 :: 1.214(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 :: 105.402(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.91 W 0.08 C Shift Assignments>> C :: 174.112(D) CA :: 59.293(D) CB :: 35.178(D) CD1 :: 129.963(D) CZ2 :: 114.085(D) CZ3 :: 121.358(D) CH2 :: 125.020(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 :: 9.592(D) HA :: 4.935(D) HB2 :: 2.064 HB3 :: 2.064 HD1 :: 7.645(D) HE1 :: 10.658(D) HZ2 :: 7.664(D) HZ3 :: 7.112(D) HH2 :: 7.389(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 :: 126.376(D) NE1 :: 129.936(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 L 0.2 F 0.15 Y 0.12 K 0.11 C 0.07 N 0.06 I 0.01 C Shift Assignments>> CA :: 55.582(D) CB :: 40.916(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 :: 6.876(D) HA :: 4.448(D) HB2 :: 2.571(D) HB3 :: 2.084(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 :: 121.540(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.31 C 0.3 Q 0.28 R 0.05 E 0.02 C Shift Assignments>> C :: 176.102(D) CA :: 57.539 CB :: 29.326 CG :: 33.110 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.K34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.54 K 0.43 R 0.01 C Shift Assignments>> C :: 175.429(D) CA :: 55.674(D) CB :: 34.674(D) CE :: 41.234(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 :: 10.756(S) HA :: 4.765(D) HB2 :: 1.742(D) HB3 :: 1.742(D) HG2 :: 1.516(D) HG3 :: 1.516(D) HD2 :: 1.650(D) HD3 :: 1.650(D) HE2 :: 2.901 HE3 :: 2.901 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 :: 132.343(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.19 R 0.04 G 0.02 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> C :: 175.909 CA :: 55.483 CB :: 36.042 CD :: 27.178 CE :: 42.177 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 :: 8.867 HA :: 4.627 HB2 :: 1.983 HB3 :: 1.871 HG2 :: 1.512 HG3 :: 1.512 HD2 :: 1.829 HD3 :: 1.829 HE2 :: 2.959 HE3 :: 2.959 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 :: 120.670 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.093 HA2 :: 4.657 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.900 Ave N Shift Values>> N :: 109.67(3.87) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 179.143 CA :: 65.594 CB :: 32.391 CG :: 27.642 CD :: 49.966 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) H Shift Assignments>> HA :: 4.286 HB2 :: 2.486 HB3 :: 2.043 HG2 :: 2.164 HG3 :: 2.164 HD2 :: 3.990 HD3 :: 3.770 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.694 CA :: 62.976 CB :: 68.800 CG2 :: 21.709 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 :: 8.425 HA :: 4.352 HB :: 4.680 HG21 :: 1.358 HG22 :: 1.358 HG23 :: 1.358 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 :: 106.799 Ave N Shift Values>> N :: 115.42(4.75) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 176.530 CA :: 52.798 CB :: 19.097 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.092 HA :: 4.152 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.487 Ave N Shift Values>> N :: 123.23(3.54) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 173.377 CA :: 65.807 CB :: 31.199 CG1 :: 21.165 CG2 :: 19.830 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 :: 6.792 HA :: 3.501 HB :: 2.117 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 116.702 Ave N Shift Values>> N :: 121.14(4.54) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.15 Y 0.11 F 0.09 D 0.08 E 0.05 L 0.02 C Shift Assignments>> C :: 172.755 CA :: 54.100 CB :: 37.857 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 :: 7.769 HA :: 4.394 HB2 :: 3.018 HB3 :: 2.142 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.884 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 C 0.34 K 0.16 E 0.05 C Shift Assignments>> C :: 174.204 CA :: 53.493 CB :: 30.650 CG :: 33.647 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 :: 8.510 HA :: 5.182 HB2 :: 2.476 HB3 :: 2.159 HG2 :: 2.817 HG3 :: 2.817 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 :: 117.002 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 A 0.26 C 0.11 L 0.04 HN Overlap>> 1.N21 1.N21 C Shift Assignments>> C :: 176.384 CA :: 52.695 CB :: 45.847 CG :: 26.423 CD1 :: 21.709 CD2 :: 21.709 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.642 HA :: 4.919 HB2 :: 1.339 HB3 :: 0.776 HG :: 1.297 HD11 :: 0.470 HD12 :: 0.470 HD13 :: 0.470 HD21 :: -0.027 HD22 :: -0.027 HD23 :: -0.027 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 :: 118.479 Ave N Shift Values>> N :: 121.86(3.9) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.05 C Shift Assignments>> C :: 172.638 CA :: 55.410 CB :: 32.992 CD1 :: 129.936 CZ2 :: 111.483 CZ3 :: 121.336 CH2 :: 122.882 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 :: 9.038 HA :: 5.411 HB2 :: 3.093 HB3 :: 2.092 HD1 :: 7.608 HE1 :: 9.117 HZ2 :: 6.937 HZ3 :: 7.241 HH2 :: 6.736 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 :: 125.303 NE1 :: 126.628 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 173.392 CA :: 56.105 CB :: 41.472 CD1 :: 133.676 CD2 :: 133.676 CE1 :: 117.971 CE2 :: 117.971 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 :: 9.414 HA :: 5.224 HB2 :: 3.084 HB3 :: 3.084 HD1 :: 6.885 HD2 :: 6.885 HE1 :: 6.765 HE2 :: 6.765 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 :: 115.904 Ave N Shift Values>> N :: 120.52(4.2) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 175.426 CA :: 58.952 CB :: 70.951 CG2 :: 22.536 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 :: 8.919 HA :: 5.253 HB :: 4.094 HG21 :: 1.370 HG22 :: 1.370 HG23 :: 1.370 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 :: 108.133 Ave N Shift Values>> N :: 115.42(4.75) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 H 0.03 C 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.630 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 :: 8.936 HA :: 4.777 HB2 :: 2.521 HB3 :: 2.521 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.701 Ave N Shift Values>> N :: 120.65(3.86) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.22 E 0.1 I 0.04 R 0.03 C Shift Assignments>> C :: 177.365 CA :: 59.127 CB :: 28.543 CG :: 34.285 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 :: 8.686 HA :: 4.223 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 2.584 HG3 :: 2.584 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.815 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.27 Q 0.21 K 0.17 I 0.01 C Shift Assignments>> C :: 175.455 CA :: 56.017 CB :: 29.618 CG :: 35.301 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 :: 8.567 HA :: 4.519 HB2 :: 2.284 HB3 :: 2.284 HG2 :: 2.563 HG3 :: 2.455 HE21 :: 7.778 HE22 :: 6.952 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.203 NE2 :: 111.795 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.S93 1.S93 C Shift Assignments>> C :: 172.938 CA :: 45.079 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.313 HA2 :: 4.390 HA3 :: 3.685 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.102 Ave N Shift Values>> N :: 109.67(3.87) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 176.589 CA :: 63.115 CB :: 31.082 CG1 :: 22.768 CG2 :: 22.768 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 :: 8.201 HA :: 4.202 HB :: 2.496 HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 123.198 Ave N Shift Values>> N :: 121.14(4.54) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 175.060 CA :: 63.137 CB :: 39.577 CG2 :: 19.054 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 HA :: 4.315 HB :: 1.471 HG12 :: 1.187 HG13 :: 1.187 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 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 :: 128.003 Ave N Shift Values>> N :: 121.46(4.28) 1.R53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 Q 0.16 N 0.1 K 0.1 P 0.08 H 0.03 E 0.03 R 0.02 W 0.01 Y 0.01 C Shift Assignments>> C :: 176.369 CA :: 51.664 CB :: 34.616 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.027 HA :: 5.303 HB2 :: 1.287 HB3 :: 0.395(S) HG2 :: 1.529 HG3 :: 1.341 HD2 :: 3.176 HD3 :: 2.955 HE :: 7.001 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.798 NE :: 84.155 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.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.452 CA :: 57.444 CB :: 63.693 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.046 HA :: 4.169 HB2 :: 3.812 HB3 :: 3.604 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.121 Ave N Shift Values>> N :: 116.28(3.52) 1.K55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 K 0.18 Q 0.16 V 0.13 W 0.05 R 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 176.838 CA :: 59.069 CB :: 33.606 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 :: 8.506 HA :: 4.004 HB2 :: 1.598 HB3 :: 1.598 HG2 :: 0.776 HG3 :: 0.776 HD2 :: 1.060 HD3 :: 1.060 HE2 :: 2.086(S) HE3 :: 2.086(S) 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 :: 128.475 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.19 K 0.18 F 0.13 Y 0.08 C 0.07 D 0.05 G 0.01 I 0.01 C Shift Assignments>> C :: 176.933 CA :: 57.576 CB :: 42.664 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 :: 8.105 HA :: 3.649 HB2 :: 1.552 HB3 :: 0.872 HG :: 1.122 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.463 HD22 :: 0.463 HD23 :: 0.463 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 :: 118.102 Ave N Shift Values>> N :: 121.86(3.9) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.1 D 0.09 Y 0.03 F 0.03 L 0.01 C Shift Assignments>> C :: 173.999 CA :: 51.700 CB :: 38.077 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 :: 6.461 HA :: 4.600 HB2 :: 2.353 HB3 :: 2.186 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 :: 109.306 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.14 D 0.12 K 0.1 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 176.530 CA :: 57.196 CB :: 40.747 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 :: 8.482 HA :: 4.934 HB2 :: 3.166 HB3 :: 3.166 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 :: 112.458 Ave N Shift Values>> N :: 120.65(3.86) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 F 0.13 C Shift Assignments>> C :: 174.840 CA :: 55.373 CB :: 37.096 CD1 :: 129.274 CD2 :: 129.274 CE1 :: 130.780 CE2 :: 130.780 CZ :: 129.022 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 :: 8.185 HA :: 5.038 HB2 :: 3.804 HB3 :: 3.337 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 7.356 HE2 :: 7.356 HZ :: 7.472 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 :: 120.601 Ave N Shift Values>> N :: 120.45(4.18) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.32 C 0.15 K 0.01 HN Overlap>> 1.K35 1.K35 C Shift Assignments>> C :: 176.706 CA :: 50.318 CB :: 22.660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.836 HA :: 5.267 HB1 :: 2.048 HB2 :: 2.048 HB3 :: 2.048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.662 Ave N Shift Values>> N :: 123.23(3.54) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 173.421 CA :: 63.012 CB :: 38.369 CG1 :: 28.222 CG2 :: 17.560 CD1 :: 12.324 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 :: 8.052 HA :: 3.770 HB :: 1.715 HG12 :: 0.430 HG13 :: 0.430 HG21 :: 0.063 HG22 :: 0.063 HG23 :: 0.063 HD11 :: 0.005 HD12 :: 0.005 HD13 :: 0.005 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 :: 119.674 Ave N Shift Values>> N :: 121.46(4.28) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 C 0.03 C Shift Assignments>> C :: 175.521 CA :: 53.303 CB :: 46.059 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.206 HA :: 5.505 HB2 :: 2.995 HB3 :: 2.140 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 :: 122.535 Ave N Shift Values>> N :: 120.65(3.86) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.11 C 0.08 C Shift Assignments>> C :: 176.735 CA :: 50.075 CB :: 21.774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.107 HA :: 5.063 HB1 :: 1.585 HB2 :: 1.585 HB3 :: 1.585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.705 Ave N Shift Values>> N :: 123.23(3.54) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.511 CA :: 62.171 CB :: 62.361 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.214 HA :: 4.196 HB2 :: 3.766 HB3 :: 3.683 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 :: 117.766 Ave N Shift Values>> N :: 116.28(3.52) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 W 0.37 C 0.2 C Shift Assignments>> C :: 173.267 CA :: 53.397 CB :: 29.735 CD2 :: 119.815 CE1 :: 136.119 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 :: 9.065 HA :: 5.059 HB2 :: 3.654 HB3 :: 3.291 HD2 :: 7.426 HE1 :: 8.624 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 :: 120.303 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 I 0.22 K 0.02 C Shift Assignments>> C :: 177.101 CA :: 60.020 CB :: 29.962 CG :: 36.846 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 :: 8.635 HA :: 4.158 HB2 :: 2.240 HB3 :: 2.240 HG2 :: 2.461 HG3 :: 2.461 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.298 Ave N Shift Values>> N :: 120.67(3.48) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.14 C 0.13 W 0.12 K 0.11 E 0.1 C Shift Assignments>> CA :: 54.342 CB :: 29.684 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.977 HA :: 5.172 HB2 :: 2.290 HB3 :: 2.152 HG2 :: 2.469 HG3 :: 2.469 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.698 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E69 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 E 0.01 C Shift Assignments>> C :: 174.870 CA :: 53.713 CB :: 35.347 CG :: 35.308 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>> HA :: 5.575 HB2 :: 2.470 HB3 :: 2.115 HG2 :: 2.323 HG3 :: 1.771 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) SRO Rule Breaks>> (CG > CB : 0.9917) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 T 0.27 C Shift Assignments>> C :: 176.304 CA :: 59.873 CB :: 70.292 CG2 :: 23.994 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 :: 9.021 HA :: 5.509 HB :: 4.642 HG21 :: 1.498 HG22 :: 1.498 HG23 :: 1.498 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 :: 110.227 Ave N Shift Values>> N :: 115.42(4.75) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.28 H 0.09 R 0.08 E 0.05 W 0.04 N 0.02 Q 0.01 Y 0.01 C Shift Assignments>> CA :: 54.019 CB :: 34.059 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 :: 8.795 HA :: 4.629 HB2 :: 2.098 HB3 :: 2.098 HG2 :: 2.511 HG3 :: 2.511 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 :: 120.797 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 176.062 CA :: 62.185 CB :: 31.483 CG :: 27.765 CD :: 49.988 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) H Shift Assignments>> HA :: 4.280 HB2 :: 2.199 HB3 :: 1.800 HG2 :: 2.045 HG3 :: 2.045 HD2 :: 3.955 HD3 :: 3.955 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 61.541 CD1 :: 131.176 CD2 :: 131.176 CE1 :: 130.033 CE2 :: 130.033 CZ :: 129.022 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.811 HA :: 3.954 HB2 :: 3.237 HB3 :: 3.091 HD1 :: 7.355 HD2 :: 7.355 HE1 :: 7.441 HE2 :: 7.441 HZ :: 7.450 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.548 Ave N Shift Values>> N :: 120.45(4.18) 1.D74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.260 CA :: 63.970 CB :: 32.361 CG :: 26.503 CD :: 51.613 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) H Shift Assignments>> HA :: 4.119 HB2 :: 2.543 HB3 :: 2.107 HG2 :: 2.199 HG3 :: 1.954 HD2 :: 3.494 HD3 :: 3.494 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.23 C 0.07 F 0.07 L 0.07 Y 0.06 HN Overlap>> 1.V98 1.V98 C Shift Assignments>> C :: 173.735 CA :: 53.061 CB :: 39.335 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 :: 8.371 HA :: 4.830 HB2 :: 2.978 HB3 :: 2.719 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.485 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.14 C 0.12 G 0.04 L 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 49.169 CB :: 39.247 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 :: 7.196 HA :: 5.297 HB2 :: 2.978 HB3 :: 2.515 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 :: 116.900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 179.121 CA :: 64.555 CB :: 32.800 CG :: 27.272 CD :: 51.468 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) H Shift Assignments>> HA :: 4.438 HB2 :: 2.532 HB3 :: 1.928 HG2 :: 2.118 HG3 :: 2.118 HD2 :: 4.035 HD3 :: 4.035 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.29 G 0.01 C Shift Assignments>> C :: 177.471 CA :: 56.368 CB :: 31.491 CG :: 25.923 CD :: 28.940 CE :: 42.459 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 :: 8.015 HA :: 4.262 HB2 :: 2.111 HB3 :: 1.932 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 3.135 HE3 :: 3.135 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 :: 113.127 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.41 R 0.05 C Shift Assignments>> C :: 173.563 CA :: 55.870 CB :: 31.403 CG :: 28.737 CD :: 45.317 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.794 HE :: 8.337 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.503 NE :: 86.329 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.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 L 0.01 C Shift Assignments>> C :: 172.451 CA :: 50.778 CB :: 20.019 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.756 HA :: 5.088 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.899 Ave N Shift Values>> N :: 123.23(3.54) 1.W82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 W 0.19 C Shift Assignments>> C :: 174.390 CA :: 55.782 CB :: 30.949 CD1 :: 128.650 CZ2 :: 111.703 CZ3 :: 119.397 CH2 :: 123.552 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 :: 7.231 HA :: 4.900 HB2 :: 2.961 HB3 :: 2.961 HD1 :: 7.332 HE1 :: 9.114 HZ2 :: 6.999 HZ3 :: 7.166 HH2 :: 6.819 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 :: 127.076 NE1 :: 126.034 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.29 A 0.03 G 0.01 C Shift Assignments>> C :: 175.012 CA :: 58.388 CB :: 42.115 CG1 :: 25.908 CG2 :: 18.772 CD1 :: 14.144 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 :: 9.545 HA :: 5.109 HB :: 2.052 HG12 :: 1.210 HG13 :: 1.210 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.003 Ave N Shift Values>> N :: 121.46(4.28) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.582 CA :: 62.777 CB :: 32.032 CG1 :: 21.252 CG2 :: 21.252 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 :: 8.994 HA :: 4.271 HB :: 2.056 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 121.097 Ave N Shift Values>> N :: 121.14(4.54) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.276 CA :: 55.695 CB :: 62.632 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.843 HA :: 4.838 HB2 :: 3.787 HB3 :: 3.362 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.901 Ave N Shift Values>> N :: 116.28(3.52) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.1 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.163 CA :: 47.778 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.424 HA2 :: 4.179 HA3 :: 3.754 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.161 Ave N Shift Values>> N :: 109.67(3.87) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 173.812 CA :: 53.208 CB :: 38.955 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 :: 8.883 HA :: 5.280 HB2 :: 3.262 HB3 :: 3.107 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.594 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 T 0.32 C Shift Assignments>> C :: 172.407 CA :: 59.748 CB :: 73.094 CG2 :: 22.543 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 :: 8.056 HA :: 5.146 HB :: 4.471 HG21 :: 1.443 HG22 :: 1.443 HG23 :: 1.443 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.604 Ave N Shift Values>> N :: 115.42(4.75) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.18 A 0.01 C Shift Assignments>> C :: 174.654 CA :: 58.593 CB :: 34.945 CG1 :: 26.663 CG2 :: 18.801 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 :: 9.127 HA :: 5.117 HB :: 1.660 HG12 :: 1.214 HG13 :: 1.214 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.509 HD12 :: 0.509 HD13 :: 0.509 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 :: 123.104 Ave N Shift Values>> N :: 121.46(4.28) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 P 0.31 C 0.19 K 0.07 A 0.04 C Shift Assignments>> C :: 175.093 CA :: 50.141 CB :: 24.313 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.995 HA :: 5.572 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.300 Ave N Shift Values>> N :: 123.23(3.54) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.26 K 0.23 R 0.12 E 0.04 C Shift Assignments>> C :: 178.027 CA :: 55.651 CB :: 27.848 CG :: 33.865 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 :: 8.124 HA :: 2.978 HB2 :: 2.190 HB3 :: 1.293 HG2 :: 1.877 HG3 :: 1.481 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 :: 125.342 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.43 R 0.07 G 0.02 C Shift Assignments>> C :: 178.817 CA :: 59.551 CB :: 42.576 CG :: 26.931 CD1 :: 25.597 CD2 :: 24.436 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 :: 8.445 HA :: 3.708 HB2 :: 1.910 HB3 :: 1.218 HG :: 1.548 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.167 Ave N Shift Values>> N :: 121.86(3.9) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G50 1.G50 C Shift Assignments>> C :: 174.273 CA :: 58.578 CB :: 63.905 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.308 HA :: 4.414 HB2 :: 3.799 HB3 :: 3.799 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 :: 108.102 Ave N Shift Values>> N :: 116.28(3.52) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 L 0.17 F 0.1 Y 0.08 C 0.06 K 0.03 C Shift Assignments>> C :: 174.602 CA :: 54.114 CB :: 40.461 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 :: 7.350 HA :: 4.628 HB2 :: 2.585 HB3 :: 2.585 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 :: 120.695 Ave N Shift Values>> N :: 120.65(3.86) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 K 0.11 L 0.05 G 0.01 C Shift Assignments>> C :: 175.429 CA :: 57.349 CB :: 28.989 CG :: 27.381 CD :: 42.583 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 :: 8.677 HA :: 4.220 HB2 :: 1.937 HB3 :: 1.830 HG2 :: 1.643 HG3 :: 1.643 HD2 :: 3.286 HD3 :: 3.115 HE :: 7.404 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 :: 121.498 NE :: 84.747 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.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 K 0.17 R 0.09 F 0.07 Y 0.05 C 0.04 N 0.03 C Shift Assignments>> C :: 174.449 CA :: 54.700 CB :: 42.042 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 :: 7.661 HA :: 4.808 HB2 :: 2.912 HB3 :: 2.677 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 :: 114.902 Ave N Shift Values>> N :: 120.65(3.86) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.27 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 173.168 CA :: 53.120 CB :: 39.686 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 :: 8.318 HA :: 4.927 HB2 :: 3.279 HB3 :: 2.512 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 :: 122.968 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.25 A 0.02 HN Overlap>> 1.N76 1.N76 C Shift Assignments>> C :: 175.890 CA :: 58.102 CB :: 35.054 CG1 :: 22.006 CG2 :: 20.106 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 :: 8.339 HA :: 6.036 HB :: 2.967 HG11 :: 0.984 HG12 :: 0.984 HG13 :: 0.984 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.497 Ave N Shift Values>> N :: 121.14(4.54) 1.L99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.55 C 0.3 L 0.11 G 0.02 C Shift Assignments>> C :: 178.239 CA :: 54.144 CB :: 42.218 CG :: 25.473 CD1 :: 21.209 CD2 :: 21.209 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 :: 8.603 HA :: 4.812 HB2 :: 1.528 HB3 :: 0.998 HG :: 1.359 HD11 :: 0.066 HD12 :: 0.066 HD13 :: 0.066 HD21 :: -0.340(S) HD22 :: -0.340(S) HD23 :: -0.340(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.502 Ave N Shift Values>> N :: 121.86(3.9) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 171.837 CA :: 46.541 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.042 HA2 :: 5.035 HA3 :: 3.642 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.106 Ave N Shift Values>> N :: 109.67(3.87) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.393 CA :: 62.500 CB :: 34.140 CG1 :: 22.514 CG2 :: 22.514 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 :: 8.470 HA :: 4.575 HB :: 1.941 HG11 :: 1.173 HG12 :: 1.173 HG13 :: 1.173 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 120.990 Ave N Shift Values>> N :: 121.14(4.54) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.005 CA :: 59.375 CB :: 39.020 CG1 :: 27.098 CG2 :: 17.539 CD1 :: 12.447 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 :: 8.847 HA :: 4.348 HB :: 1.462 HG12 :: 1.220 HG13 :: 1.220 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 HD11 :: 0.624 HD12 :: 0.624 HD13 :: 0.624 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.304 Ave N Shift Values>> N :: 121.46(4.28) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 C Shift Assignments>> C :: 176.541 CA :: 57.086 CB :: 33.262 CG :: 24.995 CD :: 29.854 CE :: 42.097 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 :: 8.461 HA :: 4.300 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 1.572 HG3 :: 1.572 HD2 :: 1.839 HD3 :: 1.839 HE2 :: 3.132 HE3 :: 3.132 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 :: 125.608 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.720 CA :: 57.517 CB :: 64.848 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.663 HA :: 4.716 HB2 :: 3.932 HB3 :: 3.932 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 :: 117.798 Ave N Shift Values>> N :: 116.28(3.52) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.15 F 0.09 Y 0.07 N 0.06 C 0.05 R 0.03 C Shift Assignments>> C :: 176.549 CA :: 54.715 CB :: 41.457 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 :: 8.779 HA :: 4.787 HB2 :: 2.819 HB3 :: 2.819 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.295 Ave N Shift Values>> N :: 120.65(3.86) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 HN Overlap>> 1.G18 1.G18 C Shift Assignments>> C :: 177.215 CA :: 56.704 CB :: 32.252 CG :: 24.842 CD :: 29.484 CE :: 42.220 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 :: 8.675 HA :: 4.408 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 1.522 HG3 :: 1.522 HD2 :: 1.847 HD3 :: 1.847 HE2 :: 3.123 HE3 :: 3.123 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.002 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.929 CA :: 45.730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.496 HA2 :: 4.166 HA3 :: 3.961 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.028 Ave N Shift Values>> N :: 109.67(3.87) 1.A108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 L 0.03 C 0.03 C Shift Assignments>> C :: 177.258(D) CA :: 51.744 CB :: 20.487 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.787 HA :: 4.716 HB1 :: 1.622 HB2 :: 1.622 HB3 :: 1.622 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.600 Ave N Shift Values>> N :: 123.23(3.54) 1.S109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.259(D) CA :: 59.236(D) CB :: 63.758(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.823(D) HA :: 4.733(D) HB2 :: 4.508(D) HB3 :: 4.124(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 :: 116.978(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 C 0.02 L 0.01 C Shift Assignments>> C :: 176.285(D) CA :: 53.398(D) CB :: 19.331(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.185(D) HA :: 4.512(D) HB1 :: 1.578(D) HB2 :: 1.578(D) HB3 :: 1.578(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.230(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.41 W 0.33 C 0.24 C Shift Assignments>> C :: 172.093(D) CA :: 54.400(D) CB :: 31.337(D) CD2 :: 119.542(D) CE1 :: 136.781(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 :: 8.336(D) HA :: 5.390(D) HB2 :: 3.567(D) HB3 :: 3.380(D) HD2 :: 7.361(D) HE1 :: 8.672(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 :: 114.804(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.29 I 0.16 C 0.15 L 0.03 D 0.02 C Shift Assignments>> C :: 175.100(D) CA :: 58.958(D) CB :: 39.746(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 :: 8.352(D) HA :: 5.494(D) HB :: 1.864(D) HG12 :: 1.414(D) HG13 :: 1.414(D) HG21 :: 0.963(D) HG22 :: 0.963(D) HG23 :: 0.963(D) HD11 :: 0.863(D) HD12 :: 0.863(D) HD13 :: 0.863(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 :: 119.499(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 C 0.21 Q 0.19 R 0.1 H 0.09 W 0.07 E 0.04 V 0.03 C Shift Assignments>> C :: 171.464 CA :: 56.786 CB :: 33.079 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.043 HA :: 5.215 HB2 :: 3.463 HB3 :: 2.813 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 :: 123.997 Ave N Shift Values>> N :: 120.17(4.64) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.24 C 0.09 C Shift Assignments>> C :: 177.346 CA :: 51.209 CB :: 22.045 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.098 HA :: 5.506 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.096 Ave N Shift Values>> N :: 123.23(3.54) 1.W115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.4 C Shift Assignments>> C :: 173.798 CA :: 57.292 CB :: 30.654 CD1 :: 130.020 CZ2 :: 114.074 CZ3 :: 120.192 CH2 :: 123.704 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 :: 9.345 HA :: 5.027 HB2 :: 3.718 HB3 :: 3.551 HD1 :: 7.489 HE1 :: 10.048 HZ2 :: 7.400 HZ3 :: 7.360 HH2 :: 6.906 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 :: 123.725 NE1 :: 129.098 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.07 Q 0.05 C Shift Assignments>> C :: 178.897 CA :: 56.273 CB :: 33.005 CG :: 24.944 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 :: 8.107 HA :: 4.868 HB2 :: 2.027 HB3 :: 1.918 HG2 :: 1.649 HG3 :: 1.649 HD2 :: 1.810 HD3 :: 1.810 HE2 :: 3.119 HE3 :: 3.119 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.104 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.31 K 0.17 E 0.15 C Shift Assignments>> C :: 176.395 CA :: 57.437 CB :: 30.467 CG :: 34.111 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.013 HA :: 4.043 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.637 HG3 :: 2.637 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 :: 126.002 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.35 C 0.27 C Shift Assignments>> C :: 176.980 CA :: 55.658 CB :: 31.001 CD2 :: 120.854 CE1 :: 136.598 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 :: 9.733 HA :: 5.044 HB2 :: 3.720 HB3 :: 3.353 HD2 :: 7.635 HE1 :: 8.769 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 :: 127.200 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.763 CA :: 46.842 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.452 HA2 :: 4.199 HA3 :: 3.811 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.109 Ave N Shift Values>> N :: 109.67(3.87) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> CA :: 44.340 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.065 HA2 :: 4.687 HA3 :: 3.999 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.210 Ave N Shift Values>> N :: 109.67(3.87) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.032 CA :: 65.126 CB :: 31.996 CG :: 27.526 CD :: 50.242 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) H Shift Assignments>> HA :: 4.212 HB2 :: 2.437 HB3 :: 1.815 HG2 :: 2.173 HG3 :: 2.173 HD2 :: 3.937 HD3 :: 3.937 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.27 N 0.11 Y 0.11 F 0.06 K 0.04 Q 0.02 I 0.01 D 0.01 HN Overlap>> 1.Q20 1.Q20 C Shift Assignments>> C :: 176.256 CA :: 55.476 CB :: 36.452 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 :: 8.486 HA :: 4.280 HB2 :: 3.730 HB3 :: 3.161 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 :: 113.223 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 Q 0.21 K 0.09 C Shift Assignments>> C :: 174.485 CA :: 55.102 CB :: 30.620 CG :: 35.301 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.656 HA :: 5.094 HB2 :: 2.531 HB3 :: 1.929 HG2 :: 1.761 HG3 :: 1.652 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.496 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.35 R 0.22 G 0.01 C Shift Assignments>> C :: 175.700 CA :: 55.447 CB :: 35.325 CG :: 25.466 CD :: 29.324 CE :: 42.235 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 :: 7.215 HA :: 5.278 HB2 :: 1.823 HB3 :: 1.715 HG2 :: 1.252 HG3 :: 1.252 HD2 :: 1.567 HD3 :: 1.567 HE2 :: 2.885 HE3 :: 2.885 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.899 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 F 0.39 C 0.13 C Shift Assignments>> C :: 173.922 CA :: 56.902 CB :: 44.317 CD1 :: 132.466 CD2 :: 132.466 CE1 :: 130.527 CE2 :: 130.527 CZ :: 127.943 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.306 HB2 :: 2.871 HB3 :: 2.304 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 7.142 HE2 :: 7.142 HZ :: 6.840 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.808 Ave N Shift Values>> N :: 120.45(4.18) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 G 0.01 C Shift Assignments>> C :: 174.591 CA :: 59.837 CB :: 42.013 CG1 :: 27.801 CG2 :: 18.126 CD1 :: 14.384 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 :: 9.825 HA :: 4.452 HB :: 1.802 HG12 :: 1.565 HG13 :: 1.223 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 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 :: 120.499 Ave N Shift Values>> N :: 121.46(4.28) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.3 A 0.01 C Shift Assignments>> C :: 176.443 CA :: 58.365 CB :: 36.078 CG1 :: 26.859 CG2 :: 17.705 CD1 :: 11.114 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 :: 8.677 HA :: 5.061 HB :: 2.044 HG12 :: 1.625 HG13 :: 1.221 HG21 :: 0.533 HG22 :: 0.533 HG23 :: 0.533 HD11 :: 0.606 HD12 :: 0.606 HD13 :: 0.606 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.351 Ave N Shift Values>> N :: 121.46(4.28) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 E 0.08 C Shift Assignments>> C :: 175.272 CA :: 54.334 CB :: 34.243 CG :: 36.418 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 :: 8.651 HA :: 5.040 HB2 :: 2.165 HB3 :: 2.067 HG2 :: 2.405 HG3 :: 2.405 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 :: 128.402 Ave N Shift Values>> N :: 120.67(3.48) 1.S129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.277(D) CA :: 60.320 CB :: 64.051 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.213 HA :: 4.701 HB2 :: 4.181 HB3 :: 4.181 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.002 Ave N Shift Values>> N :: 116.28(3.52) 1.E130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.18 E 0.11 R 0.1 V 0.08 H 0.08 I 0.06 Q 0.05 K 0.04 P 0.01 C Shift Assignments>> CA :: 60.100(D) CB :: 30.401(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 :: 8.345(D) HA :: 4.279(D) HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.530 HG3 :: 2.355 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 :: 129.203(D) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 15 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 129 #Suspicious: 1 C Shift Results: #Consistent: 468 #Duplicate: 49 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 759 #Duplicate: 95 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 15 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K13 C = 174.661(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.2242e-01 1.K13 CA = 55.629(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.4820e-01 1.K13 CB = 34.191(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.3124e-01 1.K13 H = 8.044(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0775e-01 1.K13 HA = 4.585(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7405e-01 1.K13 HB2 = 1.948(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.0158e-01 1.K13 HB3 = 1.857(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.6477e-01 1.K13 HG2 = 1.454(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.4664e-01 1.K13 HG3 = 1.308(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.8076e-01 1.K13 HD2 = 1.613(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8912e-01 1.K13 HD3 = 1.613(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.5288e-01 1.K13 HE2 = 2.945(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.9532e-01 1.K13 HE3 = 2.945(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.6108e-01 1.K13 N = 120.473(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7836e-01 1.V14 CA = 58.498(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6277e-01 1.V14 H = 9.011(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8187e-01 1.V14 HA = 5.863(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.9206e-03 1.V14 HB = 3.229(S), Expected = 1.98, Std = 0.3200, ChiSquare = 9.4959e-05 1.V14 HG11 = 1.300(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0655e-02 1.V14 HG12 = 1.300(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0655e-02 1.V14 HG13 = 1.300(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0655e-02 1.V14 HG21 = 0.883(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6690e-01 1.V14 HG22 = 0.883(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6690e-01 1.V14 HG23 = 0.883(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6690e-01 1.V14 N = 109.822(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2669e-02 1.D16 C = 174.332(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.3732e-01 1.D16 CA = 53.443(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.3903e-01 1.D16 CB = 46.083(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.3194e-03 1.D16 H = 9.182(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3272e-01 1.D16 HA = 5.347(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.8000e-02 1.D16 HB2 = 2.820(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.0052e-01 1.D16 HB3 = 2.615(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.7232e-01 1.D16 N = 125.420(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1655e-01 1.I17 C = 175.890(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.8338e-01 1.I17 CA = 63.070(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8591e-01 1.I17 CG2 = 18.743(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.7244e-01 1.I17 H = 8.523(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2083e-01 1.I17 HA = 4.204(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.6582e-01 1.I17 HG12 = 1.810(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.8517e-01 1.I17 HG13 = 1.810(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.3048e-01 1.I17 HG21 = 0.989(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1730e-01 1.I17 HG22 = 0.989(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1730e-01 1.I17 HG23 = 0.989(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1730e-01 1.I17 HD11 = 0.776(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.4062e-01 1.I17 HD12 = 0.776(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.4062e-01 1.I17 HD13 = 0.776(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.4062e-01 1.I17 N = 123.306(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6624e-01 1.I29 C = 176.915(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.7911e-01 1.I29 CA = 59.710(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.7835e-01 1.I29 CB = 42.627(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.7848e-02 1.I29 H = 9.733(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.2617e-02 1.I29 HA = 5.457(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.2587e-02 1.I29 HB = 2.446(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.1644e-02 1.I29 HG12 = 1.337(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.8669e-01 1.I29 HG13 = 1.337(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.1994e-01 1.I29 HG21 = 0.995(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0466e-01 1.I29 HG22 = 0.995(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0466e-01 1.I29 HG23 = 0.995(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0466e-01 1.I29 HD11 = 0.970(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.1731e-01 1.I29 HD12 = 0.970(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.1731e-01 1.I29 HD13 = 0.970(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.1731e-01 1.I29 N = 122.987(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2126e-01 1.T30 C = 174.654(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.4836e-01 1.T30 CA = 59.208(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.4486e-01 1.T30 CB = 70.080(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.2998e-01 1.T30 CG2 = 22.442(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.2163e-01 1.T30 H = 7.991(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.8797e-01 1.T30 HA = 5.676(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.1298e-02 1.T30 HB = 4.229(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.5810e-01 1.T30 HG21 = 1.214(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T30 HG22 = 1.214(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T30 HG23 = 1.214(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T30 N = 105.402(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4940e-02 1.W31 C = 174.112(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.1779e-01 1.W31 CA = 59.293(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.2677e-01 1.W31 CB = 35.178(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.0136e-02 1.W31 CD1 = 129.963(D), Expected = 126.51, Std = 1.8300, ChiSquare = 5.9176e-02 1.W31 CZ2 = 114.085(D), Expected = 114.26, Std = 1.1200, ChiSquare = 8.7584e-01 1.W31 CZ3 = 121.358(D), Expected = 121.35, Std = 1.5300, ChiSquare = 9.9583e-01 1.W31 CH2 = 125.020(D), Expected = 123.86, Std = 1.4200, ChiSquare = 4.1399e-01 1.W31 H = 9.592(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.9332e-02 1.W31 HA = 4.935(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.3042e-01 1.W31 HD1 = 7.645(D), Expected = 7.14, Std = 0.3600, ChiSquare = 1.6068e-01 1.W31 HE1 = 10.658(D), Expected = 10.08, Std = 0.6600, ChiSquare = 3.8116e-01 1.W31 HZ2 = 7.664(D), Expected = 7.28, Std = 0.3300, ChiSquare = 2.4457e-01 1.W31 HZ3 = 7.112(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.2869e-01 1.W31 HH2 = 7.389(D), Expected = 6.98, Std = 0.3900, ChiSquare = 2.9431e-01 1.W31 N = 126.376(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.6125e-01 1.W31 NE1 = 129.936(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.7033e-01 1.D32 CA = 55.582(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6037e-01 1.D32 CB = 40.916(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.8227e-01 1.D32 H = 6.876(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3420e-02 1.D32 HA = 4.448(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.5722e-01 1.D32 HB2 = 2.571(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6659e-01 1.D32 HB3 = 2.084(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.9673e-02 1.D32 N = 121.540(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.1765e-01 1.Q33 C = 176.102(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.1505e-01 1.K34 C = 175.429(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.4485e-01 1.K34 CA = 55.674(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.6191e-01 1.K34 CB = 34.674(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8986e-01 1.K34 CE = 41.234(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.2371e-01 1.K34 H = 10.756(S), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8971e-05 1.K34 HA = 4.765(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.6059e-01 1.K34 HB2 = 1.742(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.7919e-01 1.K34 HB3 = 1.742(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.9409e-01 1.K34 HG2 = 1.516(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.7443e-01 1.K34 HG3 = 1.516(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.5328e-01 1.K34 HD2 = 1.650(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.5573e-01 1.K34 HD3 = 1.650(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2021e-01 1.K34 N = 132.343(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7400e-03 1.R53 HB3 = 0.395(S), Expected = 1.76, Std = 0.2800, ChiSquare = 1.0881e-06 1.K55 HE2 = 2.086(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.1363e-05 1.K55 HE3 = 2.086(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.7887e-05 1.E69 SRO Rule Break>> CG > CB : 0.99165623696287 1.L99 HD21 = -0.340(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2456e-04 1.L99 HD22 = -0.340(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2456e-04 1.L99 HD23 = -0.340(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2456e-04 1.A108 C = 177.258(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.2098e-01 1.S109 C = 174.259(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3376e-01 1.S109 CA = 59.236(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0315e-01 1.S109 CB = 63.758(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7736e-01 1.S109 H = 8.823(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5740e-01 1.S109 HA = 4.733(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.2706e-01 1.S109 HB2 = 4.508(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.2005e-02 1.S109 HB3 = 4.124(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.1019e-01 1.S109 N = 116.978(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4281e-01 1.A110 C = 176.285(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.9454e-01 1.A110 CA = 53.398(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9633e-01 1.A110 CB = 19.331(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6076e-01 1.A110 H = 9.185(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0066e-01 1.A110 HA = 4.512(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.6683e-01 1.A110 HB1 = 1.578(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.8053e-01 1.A110 HB2 = 1.578(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.8053e-01 1.A110 HB3 = 1.578(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.8053e-01 1.A110 N = 129.230(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0092e-02 1.H111 C = 172.093(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.0904e-01 1.H111 CA = 54.400(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.5875e-01 1.H111 CB = 31.337(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.9615e-01 1.H111 CD2 = 119.542(D), Expected = 120.49, Std = 3.4200, ChiSquare = 7.8163e-01 1.H111 CE1 = 136.781(D), Expected = 137.71, Std = 2.1200, ChiSquare = 6.6124e-01 1.H111 H = 8.336(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.8773e-01 1.H111 HA = 5.390(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.9685e-02 1.H111 HB2 = 3.567(D), Expected = 3.10, Std = 0.3600, ChiSquare = 1.9455e-01 1.H111 HB3 = 3.380(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.7093e-01 1.H111 HD2 = 7.361(D), Expected = 7.00, Std = 0.4300, ChiSquare = 4.0117e-01 1.H111 HE1 = 8.672(D), Expected = 7.95, Std = 0.4800, ChiSquare = 1.3254e-01 1.H111 N = 114.804(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.2190e-01 1.I112 C = 175.100(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.9607e-01 1.I112 CA = 58.958(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2239e-01 1.I112 CB = 39.746(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.8062e-01 1.I112 H = 8.352(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1568e-01 1.I112 HA = 5.494(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.8954e-02 1.I112 HB = 1.864(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.7208e-01 1.I112 HG12 = 1.414(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.3762e-01 1.I112 HG13 = 1.414(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.8483e-01 1.I112 HG21 = 0.963(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7472e-01 1.I112 HG22 = 0.963(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7472e-01 1.I112 HG23 = 0.963(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7472e-01 1.I112 HD11 = 0.863(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.2802e-01 1.I112 HD12 = 0.863(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.2802e-01 1.I112 HD13 = 0.863(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.2802e-01 1.I112 N = 119.499(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4682e-01 1.S129 C = 174.277(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4194e-01 1.E130 CA = 60.100(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.8347e-01 1.E130 CB = 30.401(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2017e-01 1.E130 H = 8.345(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7972e-01 1.E130 HA = 4.279(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.4361e-01 1.E130 N = 129.203(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4206e-02