Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.080 CA :: 58.057 CB :: 63.889 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.442 HA :: 4.394 HB2 :: 3.739 HB3 :: 3.739 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.102 Ave N Shift Values>> N :: 116.28(3.52) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.560 CA :: 45.111 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.335 HA2 :: 3.816 HA3 :: 3.816 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.400 Ave N Shift Values>> N :: 109.67(3.87) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.24 K 0.14 A 0.02 G 0.01 C Shift Assignments>> C :: 177.119 CA :: 54.838 CB :: 42.429 CG :: 27.222 CD1 :: 23.463 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 :: 7.915 HA :: 4.378 HB2 :: 1.495 HB3 :: 1.366 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.666 HD22 :: 0.666 HD23 :: 0.666 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.222 Ave N Shift Values>> N :: 121.86(3.9) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 HN Overlap>> 1.L92 1.L92 C Shift Assignments>> C :: 175.602 CA :: 59.375 CB :: 33.197 CG1 :: 20.610 CG2 :: 20.218 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 :: 8.297 HA :: 4.335 HB :: 1.867 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 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 :: 123.222 Ave N Shift Values>> N :: 121.14(4.54) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.925 CB :: 32.043 CG :: 27.031 CD :: 50.834 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 :: 4.379 HB2 :: 2.131 HB3 :: 2.131 HG2 :: 1.788 HG3 :: 1.788 HD2 :: 3.672 HD3 :: 3.672 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.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.13 G 0.11 R 0.05 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 176.586 CA :: 55.479 CB :: 30.889 CG :: 30.815 CD :: 43.224 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 :: 8.469 HA :: 4.219 HB2 :: 1.688 HB3 :: 1.688 HG2 :: 1.485 HG3 :: 1.485 HD2 :: 3.028 HD3 :: 3.028 HE :: 7.198 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 :: 122.742 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.G7 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 :: 174.453 CA :: 45.670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.538 HA2 :: 3.933 HA3 :: 3.750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.993 Ave N Shift Values>> N :: 109.67(3.87) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.480 CB :: 63.535 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.318 HB2 :: 3.685 HB3 :: 3.685 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) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.33 C 0.3 HN Overlap>> 1.W66 1.W66 C Shift Assignments>> C :: 174.263 CA :: 55.889 CB :: 32.027 CD2 :: 120.436 CE1 :: 138.640 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 :: 8.344 HA :: 4.678 HB2 :: 3.096 HB3 :: 2.960 HD2 :: 6.971 HE1 :: 7.694 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 :: 120.039 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.26 A 0.23 C Shift Assignments>> C :: 174.808 CA :: 54.232 CB :: 32.377 CG :: 32.481 CE :: 16.821 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.587 HA :: 4.676 HB2 :: 1.838 HB3 :: 1.838 HG2 :: 2.155 HG3 :: 1.906 HE1 :: 1.845 HE2 :: 1.845 HE3 :: 1.845 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.453 Ave N Shift Values>> N :: 120.09(3.57) 1.V11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 A 0.05 V 0.02 C Shift Assignments>> C :: 175.218 CA :: 57.885 CB :: 35.895 CG1 :: 18.515 CG2 :: 20.273 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.805 HA :: 5.297 HB :: 1.461 HG11 :: 0.422 HG12 :: 0.422 HG13 :: 0.422 HG21 :: -0.260(S) HG22 :: -0.260(S) HG23 :: -0.260(S) 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 :: 112.794 Ave N Shift Values>> N :: 121.14(4.54) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.3 R 0.15 K 0.03 C Shift Assignments>> C :: 174.128 CA :: 54.192 CB :: 34.757 CG :: 26.618 CD :: 43.850 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 :: 8.430 HA :: 4.578 HB2 :: 1.638 HB3 :: 1.534 HG2 :: 1.480 HG3 :: 1.480 HD2 :: 2.977 HD3 :: 2.977 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.854 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.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 K 0.1 G 0.04 C Shift Assignments>> C :: 176.265 CA :: 57.824 CB :: 29.913 CG :: 28.214 CD :: 43.181 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 :: 8.569 HA :: 4.619 HB2 :: 1.723 HB3 :: 1.723 HG2 :: 1.517 HG3 :: 1.517 HD2 :: 3.168 HD3 :: 3.168 HE :: 7.419 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.928 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.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.26 C 0.15 K 0.04 C Shift Assignments>> C :: 174.173 CA :: 51.382 CB :: 23.050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.082 HA :: 4.379 HB1 :: 1.236 HB2 :: 1.236 HB3 :: 1.236 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.390 Ave N Shift Values>> N :: 123.23(3.54) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.34 K 0.08 G 0.04 C Shift Assignments>> C :: 177.847 CA :: 55.271 CB :: 31.215 CG :: 26.896 CD :: 43.086 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 :: 8.133 HA :: 4.692 HB2 :: 1.800 HB3 :: 1.745 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 3.180 HD3 :: 3.180 HE :: 7.313 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 :: 116.820 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.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.1 C 0.1 Y 0.03 F 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 175.288 CA :: 51.785 CB :: 38.246 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.709 HA :: 5.732 HB2 :: 3.014 HB3 :: 2.514 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 :: 126.567 Ave N Shift Values>> N :: 120.17(4.64) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.34 F 0.13 C Shift Assignments>> CA :: 54.951 CB :: 39.807 CD2 :: 134.091 CE2 :: 116.951 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.870 HA :: 5.079 HB2 :: 3.040 HB3 :: 2.699 HD1 :: 6.785 HD2 :: 6.785 HE1 :: 6.318 HE2 :: 6.318 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.309 Ave N Shift Values>> N :: 120.52(4.2) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.4 C Shift Assignments>> CA :: 61.773 CB :: 31.173 CG :: 27.009 CD :: 50.108 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 :: 4.836 HB2 :: 2.030 HB3 :: 1.936 HG2 :: 2.185 HG3 :: 1.994 HD2 :: 3.862 HD3 :: 3.712 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.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.C74 1.C74 C Shift Assignments>> C :: 173.688 CA :: 61.324 CB :: 70.191 CG2 :: 21.227 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 :: 7.978 HA :: 4.253 HB :: 4.041 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.177 Ave N Shift Values>> N :: 115.42(4.75) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.079 CA :: 57.057 CB :: 66.020 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.451 HA :: 4.702 HB2 :: 4.058 HB3 :: 3.811 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 :: 116.822 Ave N Shift Values>> N :: 116.28(3.52) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.19 Y 0.18 F 0.13 E 0.12 D 0.05 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 175.705 CA :: 55.564 CB :: 37.637 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 :: 8.802 HA :: 4.385 HB2 :: 2.715 HB3 :: 2.715 HD21 :: 7.564 HD22 :: 6.893 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 :: 118.803 ND2 :: 112.721 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.1 C 0.02 L 0.01 C Shift Assignments>> C :: 179.229 CA :: 53.087 CB :: 19.563 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.004 HA :: 4.262 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.571 Ave N Shift Values>> N :: 123.23(3.54) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.334 CA :: 60.586 CB :: 70.195 CG2 :: 21.698 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 :: 7.551 HA :: 4.581 HB :: 4.653 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 106.312 Ave N Shift Values>> N :: 115.42(4.75) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.19 E 0.08 M 0.08 Y 0.05 F 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 174.221 CA :: 52.790 CB :: 36.768 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 :: 7.897 HA :: 4.528 HB2 :: 3.194 HB3 :: 2.633 HD21 :: 7.285 HD22 :: 6.414 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 :: 122.599 ND2 :: 106.804 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 T 0.48 A 0.02 C Shift Assignments>> C :: 173.651 CA :: 59.011 CB :: 72.745 CG2 :: 20.913 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 :: 7.490 HA :: 4.979 HB :: 3.486 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 107.151 Ave N Shift Values>> N :: 115.42(4.75) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.17 C 0.06 F 0.01 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> C :: 173.688 CA :: 55.634 CB :: 45.854 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.632 HA :: 4.095 HB2 :: 2.919 HB3 :: 2.802 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 :: 118.809 Ave N Shift Values>> N :: 120.17(4.64) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Y 0.44 F 0.1 C Shift Assignments>> C :: 176.261 CA :: 59.067 CB :: 36.576 CD2 :: 132.752 CE2 :: 130.730 CZ :: 131.440 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 :: 9.018 HA :: 4.275 HB2 :: 3.301 HB3 :: 3.021 HD1 :: 6.883 HD2 :: 6.883 HE1 :: 6.886 HE2 :: 6.886 HZ :: 7.334 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 :: 128.190 Ave N Shift Values>> N :: 120.45(4.18) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.173 CA :: 45.112 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.566 HA2 :: 4.239 HA3 :: 3.561 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.504 Ave N Shift Values>> N :: 109.67(3.87) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.873 CA :: 57.436 CB :: 63.718 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.533 HA :: 4.529 HB2 :: 3.730 HB3 :: 3.730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.201 Ave N Shift Values>> N :: 116.28(3.52) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.632 CA :: 56.409 CB :: 32.169 CG :: 24.365 CD :: 28.605 CE :: 41.628 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 :: 8.768 HA :: 4.056 HB2 :: 1.538 HB3 :: 1.538 HG2 :: 1.198 HG3 :: 1.198 HD2 :: 1.417 HD3 :: 1.417 HE2 :: 2.785 HE3 :: 2.785 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 :: 127.456 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 A 0.26 C 0.14 C Shift Assignments>> CA :: 52.010 CB :: 40.680 CG :: 26.621 CD1 :: 25.453 CD2 :: 22.219 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 :: 8.304 HA :: 4.120 HB2 :: 1.323 HB3 :: 0.205(S) HG :: 1.239 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 HD21 :: 0.626 HD22 :: 0.626 HD23 :: 0.626 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 :: 128.016 Ave N Shift Values>> N :: 121.86(3.9) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.47 C Shift Assignments>> CA :: 62.807 CB :: 29.625 CG :: 26.537 CD :: 49.961 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 :: 4.453 HB2 :: 2.145 HB3 :: 1.926 HG2 :: 1.950 HG3 :: 1.776 HD2 :: 3.530 HD3 :: 3.027 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.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 C Shift Assignments>> C :: 175.239 CA :: 53.718 CB :: 38.637 CD1 :: 134.566 CE1 :: 117.894 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 :: 6.311 HA :: 4.689 HB2 :: 3.173 HB3 :: 3.026 HD1 :: 6.836 HD2 :: 6.836 HE1 :: 6.525 HE2 :: 6.525 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 :: 116.871 Ave N Shift Values>> N :: 120.52(4.2) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 M 0.16 Q 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 176.282 CA :: 57.502 CB :: 31.105 CG :: 36.100 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 :: 8.591 HA :: 4.138 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 2.135 HG3 :: 2.135 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 :: 118.221 Ave N Shift Values>> N :: 120.67(3.48) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.15 G 0.13 A 0.05 R 0.05 C Shift Assignments>> C :: 175.420 CA :: 53.202 CB :: 43.587 CG :: 27.153 CD1 :: 25.498 CD2 :: 23.139 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 :: 8.176 HA :: 4.974 HB2 :: 2.217 HB3 :: 0.963 HG :: 1.507 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.588 HD22 :: 0.588 HD23 :: 0.588 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.826 Ave N Shift Values>> N :: 121.86(3.9) 1.S36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.51 P 0.47 C 0.01 C Shift Assignments>> C :: 173.833 CA :: 53.006 CB :: 64.691 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.924 HA :: 5.020 HB2 :: 3.208 HB3 :: 2.838(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.561 Ave N Shift Values>> N :: 116.28(3.52) 1.S37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 175.602 CA :: 57.388 CB :: 66.333 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.628 HA :: 4.841 HB2 :: 3.016(S) HB3 :: 3.016 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 :: 111.459 Ave N Shift Values>> N :: 116.28(3.52) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.32 R 0.02 C Shift Assignments>> C :: 179.571 CA :: 56.032 CB :: 41.904 CG :: 26.938 CD1 :: 25.003 CD2 :: 24.013 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.519 HA :: 4.383 HB2 :: 1.551 HB3 :: 1.551 HG :: 1.294 HD11 :: 0.413 HD12 :: 0.413 HD13 :: 0.413 HD21 :: 0.552 HD22 :: 0.552 HD23 :: 0.552 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 :: 128.995 Ave N Shift Values>> N :: 121.86(3.9) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.18 L 0.11 C 0.1 I 0.06 D 0.05 R 0.02 C Shift Assignments>> C :: 176.486 CA :: 58.352 CB :: 41.259 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 :: 8.191 HA :: 4.168 HB2 :: 2.754 HB3 :: 2.418 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.013 Ave N Shift Values>> N :: 120.65(3.86) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 A 0.3 L 0.26 C Shift Assignments>> C :: 175.556 CA :: 54.483 CB :: 39.219 CG :: 26.318 CD1 :: 21.976 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 :: 8.732 HA :: 4.329 HB2 :: 2.141 HB3 :: 1.470 HG :: 1.056 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 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 :: 118.298 Ave N Shift Values>> N :: 121.86(3.9) 1.T41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.57 C 0.38 A 0.03 C Shift Assignments>> C :: 172.812 CA :: 58.759 CB :: 71.985 CG2 :: 20.435 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 :: 7.574 HA :: 2.784(S) HB :: 2.647(S) HG21 :: 0.328(S) HG22 :: 0.328(S) HG23 :: 0.328(S) 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 :: 106.427 Ave N Shift Values>> N :: 115.42(4.75) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.36 N 0.25 L 0.16 F 0.06 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> CA :: 52.757 CB :: 40.737 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>> HA :: 4.398 HB2 :: 2.459 HB3 :: 2.076 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) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.28 F 0.18 C Shift Assignments>> C :: 176.169 CA :: 57.477 CB :: 39.270 CD1 :: 131.518 CE1 :: 132.594 CZ :: 131.862 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.575 HA :: 4.498 HB2 :: 3.109 HB3 :: 2.648 HD1 :: 7.151 HD2 :: 7.151 HE1 :: 7.407 HE2 :: 7.407 HZ :: 6.935 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 :: 117.929 Ave N Shift Values>> N :: 120.45(4.18) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.29 C Shift Assignments>> C :: 175.080 CA :: 56.439 CB :: 31.104 CD2 :: 119.685 CE1 :: 137.643 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 :: 9.230 HA :: 4.585 HB2 :: 3.258 HB3 :: 3.071 HD2 :: 7.098 HE1 :: 8.077 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 :: 115.333 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 T 0.41 A 0.01 C Shift Assignments>> C :: 173.696 CA :: 58.725 CB :: 72.851 CG2 :: 21.622 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 :: 7.343 HA :: 4.528 HB :: 4.387 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 106.891 Ave N Shift Values>> N :: 115.42(4.75) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.14 K 0.04 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.417 CA :: 59.380 CB :: 29.873 CG :: 36.482 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 :: 8.841 HA :: 3.611 HB2 :: 1.797 HB3 :: 1.528 HG2 :: 1.890 HG3 :: 1.617 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.798 Ave N Shift Values>> N :: 120.67(3.48) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.15 C Shift Assignments>> C :: 177.745 CA :: 59.470 CB :: 32.130 CG :: 24.437 CD :: 28.386 CE :: 42.016 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 :: 8.307 HA :: 3.903 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 1.288 HG3 :: 1.214 HD2 :: 1.599 HD3 :: 1.599 HE2 :: 2.897 HE3 :: 2.897 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 :: 121.091 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.36 I 0.11 M 0.04 K 0.01 HN Overlap>> 1.F125 1.F125 C Shift Assignments>> C :: 178.051 CA :: 59.094 CB :: 30.468 CG :: 36.919 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.537 HA :: 3.852 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 2.143 HG3 :: 2.039 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.790 Ave N Shift Values>> N :: 120.67(3.48) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.37 K 0.15 R 0.03 G 0.03 C Shift Assignments>> C :: 178.070 CA :: 59.007 CB :: 42.750 CG :: 27.001 CD1 :: 24.927 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 :: 7.321 HA :: 3.211 HB2 :: 1.810 HB3 :: 1.569 HG :: 1.295 HD11 :: 1.021 HD12 :: 1.021 HD13 :: 1.021 HD21 :: 1.021 HD22 :: 1.021 HD23 :: 1.021 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 :: 118.763 Ave N Shift Values>> N :: 121.86(3.9) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.15 D 0.08 I 0.08 L 0.06 N 0.03 C Shift Assignments>> C :: 177.689 CA :: 57.310 CB :: 39.288 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 :: 8.335 HA :: 4.127 HB2 :: 2.714 HB3 :: 2.529 HD21 :: 7.498 HD22 :: 6.842 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 :: 116.987 ND2 :: 112.590 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.28 C 0.14 D 0.08 I 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 178.868 CA :: 57.510 CB :: 39.596 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.376 HA :: 4.306 HB2 :: 2.629 HB3 :: 2.510 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 :: 120.935 Ave N Shift Values>> N :: 120.65(3.86) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.32 R 0.27 C Shift Assignments>> C :: 179.458 CA :: 55.698 CB :: 31.082 CG :: 24.521 CD :: 28.082 CE :: 41.937 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 :: 7.748 HA :: 4.168 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.171 HG3 :: 1.171 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 2.938 HE3 :: 2.938 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 :: 119.626 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 C Shift Assignments>> C :: 178.732 CA :: 57.722 CB :: 41.236 CG :: 25.852 CD1 :: 25.602 CD2 :: 22.655 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 :: 8.221 HA :: 3.688 HB2 :: 1.661 HB3 :: 1.339 HG :: 1.130 HD11 :: 0.392 HD12 :: 0.392 HD13 :: 0.392 HD21 :: 0.046 HD22 :: 0.046 HD23 :: 0.046 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.255 Ave N Shift Values>> N :: 121.86(3.9) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 N 0.2 C 0.17 F 0.17 D 0.09 E 0.05 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 178.394 CA :: 55.628 CB :: 38.269 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 :: 7.482 HA :: 4.580 HB2 :: 2.914 HB3 :: 2.864 HD21 :: 7.775 HD22 :: 6.846 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 :: 113.630 ND2 :: 113.685 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.05 I 0.04 K 0.01 C Shift Assignments>> C :: 179.095 CA :: 56.623 CB :: 39.883 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 :: 7.834 HA :: 4.482 HB2 :: 2.866 HB3 :: 2.455 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 :: 120.683 Ave N Shift Values>> N :: 120.65(3.86) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Y 0.4 F 0.11 C Shift Assignments>> C :: 176.554 CA :: 62.142 CB :: 37.436 CD2 :: 133.432 CE2 :: 118.373 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.132 HA :: 3.984 HB2 :: 3.380 HB3 :: 3.100 HD1 :: 7.330 HD2 :: 7.330 HE1 :: 6.750 HE2 :: 6.750 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 :: 116.512 Ave N Shift Values>> N :: 120.52(4.2) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 177.915 CA :: 61.395 CB :: 37.345 CD1 :: 133.470 CE1 :: 118.363 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.558 HA :: 3.632 HB2 :: 2.851 HB3 :: 2.851 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 6.895 HE2 :: 6.895 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.786 Ave N Shift Values>> N :: 120.52(4.2) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 C 0.02 I 0.01 C Shift Assignments>> C :: 179.390 CA :: 54.015 CB :: 18.529 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.453 HA :: 3.935 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.715 Ave N Shift Values>> N :: 123.23(3.54) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.46 R 0.05 C Shift Assignments>> C :: 177.280 CA :: 56.634 CB :: 41.045 CG :: 28.196 CD1 :: 26.081 CD2 :: 23.773 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 :: 7.764 HA :: 3.765 HB2 :: 2.069 HB3 :: 1.570 HG :: 1.641 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.670 HD22 :: 0.670 HD23 :: 0.670 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 :: 117.212 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 K 0.39 R 0.05 C Shift Assignments>> C :: 177.121 CA :: 58.865 CB :: 31.247 CG :: 23.834 CD :: 28.957 CE :: 41.183 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 :: 7.001 HA :: 3.039 HB2 :: 0.896(S) HB3 :: 0.818(S) HG2 :: 0.127(S) HG3 :: 0.047(S) HD2 :: 1.077 HD3 :: 1.077 HE2 :: 2.529 HE3 :: 2.460 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.756 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.3 C Shift Assignments>> C :: 174.232 CA :: 57.245 CB :: 30.221 CD2 :: 120.468 CE1 :: 138.791 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.973 HA :: 4.304 HB2 :: 3.129 HB3 :: 2.868 HD2 :: 7.035 HE1 :: 7.623 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.331 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> CA :: 59.159 CB :: 30.604 CG1 :: 22.649 CG2 :: 20.108 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.821 HA :: 4.531 HB :: 2.150 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 121.486 Ave N Shift Values>> N :: 121.14(4.54) 1.P63 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>> CA :: 66.637 CB :: 32.212 CG :: 27.321 CD :: 51.022 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 :: 4.070 HB2 :: 2.405 HB3 :: 1.977 HG2 :: 1.998 HG3 :: 1.998 HD2 :: 3.750 HD3 :: 3.568 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.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.34 R 0.18 C Shift Assignments>> C :: 180.048 CA :: 59.398 CB :: 31.296 CG :: 24.657 CD :: 27.876 CE :: 41.760 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 :: 9.234 HA :: 4.099 HB2 :: 1.877 HB3 :: 1.877 HG2 :: 1.597 HG3 :: 1.597 HD2 :: 1.718 HD3 :: 1.718 HE2 :: 2.931 HE3 :: 2.931 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 :: 116.832 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.14 D 0.02 L 0.02 E 0.02 N 0.01 C Shift Assignments>> C :: 175.012 CA :: 58.297 CB :: 38.803 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.496 HA :: 4.320 HB2 :: 3.230 HB3 :: 3.031 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.333 Ave N Shift Values>> N :: 120.17(4.64) 1.W66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.51 C 0.48 HN Overlap>> 1.H9 1.H9 C Shift Assignments>> C :: 177.462 CA :: 58.821 CB :: 30.425 CD1 :: 126.832 CE3 :: 119.770 CZ2 :: 113.921 CZ3 :: 122.123 CH2 :: 124.328 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.254 HA :: 4.452 HB2 :: 3.234 HB3 :: 2.964 HD1 :: 7.061 HE1 :: 9.844 HE3 :: 6.825 HZ2 :: 6.824 HZ3 :: 6.175 HH2 :: 5.215(S) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.987 NE1 :: 128.198 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 178.845 CA :: 54.188 CB :: 18.323 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.968 HA :: 3.736 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.093 Ave N Shift Values>> N :: 123.23(3.54) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.08 C 0.03 L 0.02 C Shift Assignments>> C :: 178.414 CA :: 53.243 CB :: 19.832 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.929 HA :: 4.147 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.351 Ave N Shift Values>> N :: 123.23(3.54) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 176.350 CA :: 62.069 CB :: 39.375 CG1 :: 31.092 CG2 :: 17.874 CD1 :: 14.590 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 :: 8.695 HA :: 4.218 HB :: 2.045 HG12 :: 1.697 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 HD11 :: 1.128 HD12 :: 1.128 HD13 :: 1.128 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 :: 115.150 Ave N Shift Values>> N :: 121.46(4.28) 1.Q70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 P 0.25 K 0.1 R 0.04 I 0.04 V 0.02 Q 0.02 C Shift Assignments>> C :: 173.470 CA :: 61.829 CB :: 25.973 CG :: 33.328 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 :: 7.315 HA :: 3.332 HB2 :: 1.555 HB3 :: 1.555 HG2 :: 1.265(S) HG3 :: 1.028(S) HE21 :: 6.316 HE22 :: 5.640 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.564 NE2 :: 109.407 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> CA :: 65.894 CB :: 30.481 CG :: 27.833 CD :: 49.756 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 :: 4.076 HB2 :: 2.131 HB3 :: 2.131 HG2 :: 1.913 HD2 :: 3.375 HD3 :: 3.268 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.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.28 F 0.12 C Shift Assignments>> C :: 175.919 CA :: 59.712 CB :: 39.329 CD2 :: 132.442 CE2 :: 130.945 CZ :: 132.380 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 :: 6.892 HA :: 4.289 HB2 :: 3.230 HB3 :: 2.868 HD1 :: 6.865 HD2 :: 6.865 HE1 :: 7.009 HE2 :: 7.009 HZ :: 7.309 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 :: 119.137 Ave N Shift Values>> N :: 120.45(4.18) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.38 R 0.09 C Shift Assignments>> C :: 180.297 CA :: 57.952 CB :: 41.645 CG :: 26.484 CD1 :: 27.209 CD2 :: 22.994 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 :: 8.589 HA :: 3.611 HB2 :: 1.918 HB3 :: 1.004 HG :: 1.643 HD11 :: 0.565 HD12 :: 0.565 HD13 :: 0.565 HD21 :: 0.323 HD22 :: 0.323 HD23 :: 0.323 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.693 Ave N Shift Values>> N :: 121.86(3.9) 1.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.06 L 0.05 N 0.02 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 175.556 CA :: 57.678 CB :: 39.396 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.001 HA :: 4.127 HB2 :: 2.898 HB3 :: 2.706 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 :: 115.085 Ave N Shift Values>> N :: 120.17(4.64) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.3 C 0.02 I 0.01 C Shift Assignments>> C :: 177.745 CA :: 54.306 CB :: 18.778 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.671 HA :: 3.922 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.743 Ave N Shift Values>> N :: 123.23(3.54) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.806 CA :: 64.622 CB :: 32.936 CG1 :: 21.660 CG2 :: 23.716 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.460 HA :: 3.735 HB :: 1.511 HG11 :: 0.609 HG12 :: 0.609 HG13 :: 0.609 HG21 :: 0.296 HG22 :: 0.296 HG23 :: 0.296 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 :: 115.667 Ave N Shift Values>> N :: 121.14(4.54) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.31 C 0.24 C Shift Assignments>> C :: 176.192 CA :: 60.420 CB :: 40.182 CD1 :: 132.710 CE1 :: 129.398 CZ :: 130.249 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 :: 8.930 HA :: 4.048 HB2 :: 3.143 HB3 :: 2.704 HD1 :: 7.374 HD2 :: 7.374 HE1 :: 7.148 HE2 :: 7.148 HZ :: 6.935 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.306 Ave N Shift Values>> N :: 120.45(4.18) 1.K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 R 0.28 C 0.28 G 0.04 C Shift Assignments>> C :: 184.176(S) CA :: 53.428 CB :: 33.274 CG :: 25.540 CD :: 29.658 CE :: 42.810 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 :: 7.802 HA :: 4.816 HB2 :: 1.785 HB3 :: 1.785 HG2 :: 1.226 HG3 :: 1.226 HD2 :: 1.675 HD3 :: 1.379 HE2 :: 2.815 HE3 :: 2.708 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 :: 115.470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.682 CB :: 32.358 CG :: 27.595 CD :: 50.340 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 :: 4.250 HB2 :: 2.543 HB3 :: 2.543 HG2 :: 1.902 HG3 :: 1.902 HD2 :: 3.449 HD3 :: 3.158 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.K80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.41 R 0.03 C Shift Assignments>> C :: 173.356 CA :: 58.027 CB :: 31.285 CG :: 25.275 CD :: 28.730 CE :: 40.857 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 :: 8.537 HA :: 3.039 HB2 :: 0.687(S) HB3 :: -0.075(S) HG2 :: 0.411(S) HG3 :: 0.411(S) HD2 :: 0.749(S) HD3 :: 0.354(S) HE2 :: 2.183(S) HE3 :: 2.081(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 :: 122.391 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.12 K 0.09 F 0.08 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 171.655 CA :: 53.804 CB :: 41.219 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.037 HA :: 5.391 HB2 :: 2.309 HB3 :: 1.792 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 :: 127.562 Ave N Shift Values>> N :: 120.17(4.64) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.13 E 0.05 C Shift Assignments>> C :: 173.371 CA :: 54.874 CB :: 34.630 CG :: 35.918 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.401 HA :: 4.492 HB2 :: 1.894 HB3 :: 1.839 HG2 :: 2.070 HG3 :: 2.026 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 :: 124.483 Ave N Shift Values>> N :: 120.67(3.48) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.41 R 0.08 HN Overlap>> 1.R6 1.R6 C Shift Assignments>> C :: 176.509 CA :: 55.856 CB :: 31.809 CG :: 24.612 CD :: 28.476 CE :: 41.177 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 :: 8.526 HA :: 4.581 HB2 :: 1.531 HB3 :: 1.391 HG2 :: 1.135 HG3 :: 1.042 HD2 :: 1.433 HD3 :: 1.433 HE2 :: 2.822 HE3 :: 2.767 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.694 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.337 CA :: 60.847 CB :: 39.625 CG1 :: 27.170 CG2 :: 16.511 CD1 :: 12.600 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 :: 9.001 HA :: 4.049 HB :: 1.556 HG12 :: 1.365 HG13 :: 1.294 HG21 :: 0.666 HG22 :: 0.666 HG23 :: 0.666 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 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 :: 128.382 Ave N Shift Values>> N :: 121.46(4.28) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.18 E 0.1 Y 0.09 F 0.06 M 0.06 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 175.496 CA :: 53.970 CB :: 37.238 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.474 HA :: 4.212 HB2 :: 2.949 HB3 :: 2.666 HD21 :: 7.578 HD22 :: 6.795 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 :: 127.596 ND2 :: 112.813 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.651 CA :: 45.167 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.476 HA2 :: 4.094 HA3 :: 3.373 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.656 Ave N Shift Values>> N :: 109.67(3.87) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.37 E 0.15 Q 0.02 C Shift Assignments>> C :: 174.422 CA :: 54.294 CB :: 32.934 CG :: 35.875 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.591 HA :: 4.587 HB2 :: 1.804 HB3 :: 1.804 HG2 :: 2.105 HG3 :: 1.999 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.042 Ave N Shift Values>> N :: 120.67(3.48) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.22 K 0.19 F 0.11 Y 0.08 C 0.05 R 0.04 N 0.03 C Shift Assignments>> C :: 176.214 CA :: 55.408 CB :: 41.629 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 :: 8.489 HA :: 4.340 HB2 :: 2.908 HB3 :: 2.555 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 :: 126.603 Ave N Shift Values>> N :: 120.65(3.86) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.27 C 0.21 C Shift Assignments>> C :: 172.900 CA :: 53.649 CB :: 35.529 CG :: 32.804 CE :: 18.224 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.853 HA :: 4.911 HB2 :: 1.787 HB3 :: 1.278 HG2 :: 2.468 HG3 :: 2.342 HE1 :: 1.723 HE2 :: 1.723 HE3 :: 1.723 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.977 Ave N Shift Values>> N :: 120.09(3.57) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.11 A 0.01 C Shift Assignments>> C :: 172.991 CA :: 58.203 CB :: 34.629 CG1 :: 24.114 CG2 :: 21.050 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 :: 8.964 HA :: 4.814 HB :: 1.559 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.963 Ave N Shift Values>> N :: 121.14(4.54) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.33 F 0.18 C Shift Assignments>> C :: 176.464 CA :: 57.549 CB :: 38.274 CD2 :: 133.471 CE2 :: 117.567 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.137 HA :: 4.444 HB2 :: 2.789 HB3 :: 2.581 HD1 :: 6.750 HD2 :: 6.750 HE1 :: 6.348 HE2 :: 6.348 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.849 Ave N Shift Values>> N :: 120.52(4.2) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 C 0.14 G 0.01 A 0.01 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> CA :: 52.426 CB :: 42.038 CG :: 27.028 CD1 :: 24.515 CD2 :: 24.681 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 :: 8.308 HA :: 4.683 HB2 :: 1.505 HB3 :: 1.505 HG :: 1.582 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.151 Ave N Shift Values>> N :: 121.86(3.9) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.4 C Shift Assignments>> CA :: 61.704 CB :: 32.020 CG :: 27.297 CD :: 50.256 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 :: 4.678 HB2 :: 2.237 HB3 :: 2.117 HG2 :: 1.957 HG3 :: 1.875 HD2 :: 3.824 HD3 :: 3.659 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.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.473 CA :: 56.324 CB :: 65.193 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.668 HA :: 4.632 HB2 :: 4.265 HB3 :: 3.894 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 :: 113.955 Ave N Shift Values>> N :: 116.28(3.52) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 178.116 CA :: 62.057 CB :: 37.925 CD1 :: 133.485 CE1 :: 118.180 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.492 HA :: 3.724 HB2 :: 3.294 HB3 :: 2.626 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 6.688 HE2 :: 6.688 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 :: 122.582 Ave N Shift Values>> N :: 120.52(4.2) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.18 K 0.07 Q 0.03 C Shift Assignments>> C :: 177.421 CA :: 58.867 CB :: 28.969 CG :: 36.427 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 :: 8.503 HA :: 3.846 HB2 :: 1.932 HB3 :: 1.701 HG2 :: 2.150 HG3 :: 2.150 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 :: 118.362 Ave N Shift Values>> N :: 120.67(3.48) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> C :: 176.804 CA :: 58.648 CB :: 33.058 CG :: 32.282 CE :: 16.827 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.409 HA :: 3.708 HB2 :: 2.139 HB3 :: 2.139 HG2 :: 2.526 HG3 :: 2.456 HE1 :: 2.006 HE2 :: 2.006 HE3 :: 2.006 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.221 Ave N Shift Values>> N :: 120.09(3.57) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.17 M 0.1 K 0.1 Q 0.1 V 0.06 Y 0.04 I 0.03 F 0.01 H 0.01 R 0.01 W 0.01 C Shift Assignments>> C :: 178.047 CA :: 58.737 CB :: 35.006 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.817 HA :: 3.857 HB2 :: 2.278 HB3 :: 2.131 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 :: 114.131 Ave N Shift Values>> N :: 120.17(4.64) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.25 K 0.22 G 0.04 L 0.03 C Shift Assignments>> C :: 179.435 CA :: 59.641 CB :: 29.273 CG :: 25.796 CD :: 43.003 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 :: 8.885 HA :: 3.376 HB2 :: 1.404 HB3 :: 1.192 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 2.872 HD3 :: 2.872 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.629 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.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 175.624 CA :: 63.811 CB :: 38.229 CG1 :: 26.623 CG2 :: 17.501 CD1 :: 14.098 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 :: 7.422 HA :: 3.796 HB :: 1.853 HG12 :: 1.412 HG13 :: 1.150 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 113.379 Ave N Shift Values>> N :: 121.46(4.28) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.798 CA :: 62.856 CB :: 70.168 CG2 :: 22.263 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 :: 7.574 HA :: 3.889 HB :: 4.129 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 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 :: 109.403 Ave N Shift Values>> N :: 115.42(4.75) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 HN Overlap>> 1.L118 1.L118 C Shift Assignments>> C :: 177.174 CA :: 60.235 CB :: 32.338 CG :: 32.327 CE :: 16.098 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.152 HA :: 3.541 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.455 HG3 :: 2.455 HE1 :: 1.862 HE2 :: 1.862 HE3 :: 1.862 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.638 Ave N Shift Values>> N :: 120.09(3.57) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.33 K 0.05 E 0.04 Q 0.01 C Shift Assignments>> CA :: 60.422 CB :: 26.103 CG :: 36.005 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 :: 8.580 HA :: 4.114 HB2 :: 1.952 HB3 :: 1.872 HG2 :: 2.105 HG3 :: 2.105 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.224 Ave N Shift Values>> N :: 120.67(3.48) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 65.128 CB :: 31.141 CG :: 27.893 CD :: 50.204 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 :: 4.304 HB2 :: 1.981 HB3 :: 1.437 HG2 :: 1.978 HG3 :: 1.907 HD2 :: 3.597 HD3 :: 3.423 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.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.21 D 0.19 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 174.808 CA :: 54.060 CB :: 42.879 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.208 HA :: 4.679 HB2 :: 3.187 HB3 :: 3.071 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 :: 111.879 Ave N Shift Values>> N :: 120.17(4.64) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.31 K 0.13 G 0.06 L 0.01 C Shift Assignments>> C :: 178.210 CA :: 59.743 CB :: 29.486 CG :: 26.057 CD :: 43.243 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 :: 7.436 HA :: 3.161 HB2 :: 1.906 HB3 :: 1.642 HG2 :: 1.368 HG3 :: 1.368 HD2 :: 3.049 HD3 :: 3.049 HE :: 7.016 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.750 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.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 176.577 CA :: 63.166 CB :: 37.781 CG1 :: 27.844 CG2 :: 17.306 CD1 :: 13.593 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 :: 8.130 HA :: 4.000 HB :: 1.844 HG12 :: 1.363 HG13 :: 1.214 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 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 :: 116.384 Ave N Shift Values>> N :: 121.46(4.28) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.23 R 0.19 A 0.04 G 0.03 C Shift Assignments>> C :: 178.346 CA :: 54.697 CB :: 42.872 CG :: 27.304 CD1 :: 26.603 CD2 :: 22.845 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 :: 7.771 HA :: 4.540 HB2 :: 1.805 HB3 :: 1.685 HG :: 1.504 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.738 Ave N Shift Values>> N :: 121.86(3.9) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 Y 0.14 H 0.01 C Shift Assignments>> C :: 176.169 CA :: 59.682 CB :: 37.180 CD1 :: 131.938 CE1 :: 120.703 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.886 HA :: 4.125 HB2 :: 2.965 HB3 :: 2.903 HD1 :: 6.459 HD2 :: 6.459 HE1 :: 7.004 HE2 :: 7.004 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.945 Ave N Shift Values>> N :: 120.52(4.2) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.11 D 0.09 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 175.612 CA :: 52.670 CB :: 38.058 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 :: 8.228 HA :: 4.885 HB2 :: 2.886 HB3 :: 2.805 HD21 :: 7.568 HD22 :: 6.795 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 :: 115.992 ND2 :: 111.975 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.844 CA :: 61.815 CB :: 72.484 CG2 :: 21.264 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 :: 7.649 HA :: 4.682 HB :: 4.469 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 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 :: 109.094 Ave N Shift Values>> N :: 115.42(4.75) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.033 CA :: 63.174 CB :: 68.529 CG2 :: 21.201 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 :: 8.261 HA :: 4.026 HB :: 4.134 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 112.067 Ave N Shift Values>> N :: 115.42(4.75) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.19 C Shift Assignments>> C :: 175.398 CA :: 59.890 CB :: 39.668 CD2 :: 131.517 CE2 :: 131.784 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.764 HA :: 4.153 HB2 :: 2.884 HB3 :: 2.884 HD1 :: 6.844 HD2 :: 6.844 HE1 :: 7.025 HE2 :: 7.025 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.139 Ave N Shift Values>> N :: 120.45(4.18) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.31 C 0.22 C Shift Assignments>> CA :: 56.245 CB :: 38.810 CD1 :: 132.999 CE1 :: 130.252 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.670 HA :: 4.662 HB2 :: 2.789 HB3 :: 2.574 HD1 :: 6.754 HD2 :: 6.754 HE1 :: 7.029 HE2 :: 7.029 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.447 Ave N Shift Values>> N :: 120.45(4.18) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 62.432 CB :: 32.670 CG :: 26.937 CD :: 50.420 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 :: 4.398 HB2 :: 2.140 HB3 :: 1.387 HG2 :: 1.651 HG3 :: 1.651 HD2 :: 3.327 HD3 :: 3.128 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.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.35 R 0.15 G 0.02 HN Overlap>> 1.C26 1.C26 C Shift Assignments>> C :: 177.977 CA :: 60.279 CB :: 31.599 CG :: 24.915 CD :: 28.946 CE :: 42.607 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 :: 8.565 HA :: 3.580 HB2 :: 1.753 HB3 :: 1.753 HG2 :: 1.401 HG3 :: 1.314 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.836 HE3 :: 2.836 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.753 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.42 F 0.07 C Shift Assignments>> C :: 173.946 CA :: 57.841 CB :: 36.807 CD1 :: 133.281 CE1 :: 132.398 CZ :: 131.403 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 :: 6.795 HA :: 4.481 HB2 :: 3.487 HB3 :: 2.661 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 6.900 HE2 :: 6.900 HZ :: 7.343 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 :: 110.638 Ave N Shift Values>> N :: 120.45(4.18) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.15 L 0.12 A 0.01 HN Overlap>> 1.M102 1.M102 C Shift Assignments>> C :: 175.398 CA :: 53.169 CB :: 44.901 CG :: 24.522 CD1 :: 25.563 CD2 :: 25.567 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 :: 7.204 HA :: 4.710 HB2 :: 1.792 HB3 :: 1.024 HG :: 1.826 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.653 Ave N Shift Values>> N :: 121.86(3.9) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.34 K 0.09 G 0.03 C Shift Assignments>> C :: 177.099 CA :: 55.250 CB :: 30.355 CG :: 27.160 CD :: 42.817 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 :: 7.090 HA :: 4.328 HB2 :: 1.742 HB3 :: 1.742 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 2.791 HD3 :: 2.791 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 :: 116.807 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.C120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.22 Q 0.16 K 0.11 E 0.11 N 0.03 H 0.02 Y 0.02 R 0.01 W 0.01 C Shift Assignments>> C :: 175.022 CA :: 54.449 CB :: 34.958 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.210 HA :: 4.588 HB2 :: 2.881 HB3 :: 2.733 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.271 Ave N Shift Values>> N :: 120.17(4.64) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 175.080 CA :: 53.188 CB :: 40.003 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 :: 7.801 HA :: 4.811 HB2 :: 2.839 HB3 :: 2.670 HD21 :: 7.657 HD22 :: 6.952 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.232 ND2 :: 114.087 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.07 K 0.07 Q 0.04 M 0.04 C Shift Assignments>> C :: 176.447 CA :: 57.928 CB :: 29.822 CG :: 36.338 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.086 HA :: 4.225 HB2 :: 1.911 HB3 :: 1.911 HG2 :: 1.924 HG3 :: 1.924 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.435 Ave N Shift Values>> N :: 120.67(3.48) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.853 CA :: 63.694 CB :: 68.841 CG2 :: 21.608 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 :: 8.067 HA :: 3.964 HB :: 3.951 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 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 :: 113.403 Ave N Shift Values>> N :: 115.42(4.75) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 176.215 CA :: 55.656 CB :: 42.291 CG :: 26.850 CD1 :: 24.960 CD2 :: 23.206 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.448 HA :: 3.964 HB2 :: 1.079 HB3 :: 0.643 HG :: 1.204 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.617 HD22 :: 0.617 HD23 :: 0.617 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.377 Ave N Shift Values>> N :: 121.86(3.9) 1.F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.36 C 0.23 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 179.412 CA :: 53.495 CB :: 39.248 CD2 :: 132.342 CE2 :: 130.432 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.542 HA :: 5.202 HB2 :: 3.008 HB3 :: 2.814 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 7.161 HE2 :: 7.161 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 :: 117.704 Ave N Shift Values>> N :: 120.45(4.18) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.949 CB :: 32.242 CG :: 27.435 CD :: 50.414 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 :: 4.528 HB2 :: 2.214 HB3 :: 1.891 HG2 :: 1.852 HG3 :: 1.792 HD2 :: 3.754 HD3 :: 3.492 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.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.175 CA :: 61.863 CB :: 69.742 CG2 :: 21.498 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 :: 8.452 HA :: 4.324 HB :: 4.123 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 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 :: 114.025 Ave N Shift Values>> N :: 115.42(4.75) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.1 C Shift Assignments>> CA :: 57.661 CB :: 33.467 CG :: 24.484 CD :: 28.887 CE :: 42.239 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 :: 7.831 HA :: 4.046 HB2 :: 1.692 HB3 :: 1.605 HG2 :: 1.248 HG3 :: 1.248 HD2 :: 1.417 HD3 :: 1.417 HE2 :: 3.185 HE3 :: 3.185 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 :: 127.089 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 118 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 555 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 900 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 0 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V11 HG21 = -0.260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5327e-04 1.V11 HG22 = -0.260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5327e-04 1.V11 HG23 = -0.260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5327e-04 1.L31 HB3 = 0.205(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.5942e-04 1.S36 HB3 = 2.838(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.7815e-04 1.S37 HB2 = 3.016(S), Expected = 3.88, Std = 0.2500, ChiSquare = 5.4826e-04 1.T41 HA = 2.784(S), Expected = 4.46, Std = 0.4800, ChiSquare = 4.8002e-04 1.T41 HB = 2.647(S), Expected = 4.17, Std = 0.3300, ChiSquare = 3.9281e-06 1.T41 HG21 = 0.328(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.1488e-04 1.T41 HG22 = 0.328(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.1488e-04 1.T41 HG23 = 0.328(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.1488e-04 1.K60 HB2 = 0.896(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.0623e-04 1.K60 HB3 = 0.818(S), Expected = 1.74, Std = 0.2700, ChiSquare = 6.3825e-04 1.K60 HG2 = 0.127(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.7463e-06 1.K60 HG3 = 0.047(S), Expected = 1.35, Std = 0.2800, ChiSquare = 3.2623e-06 1.W66 HH2 = 5.215(S), Expected = 6.98, Std = 0.3900, ChiSquare = 6.0213e-06 1.Q70 HG2 = 1.265(S), Expected = 2.32, Std = 0.2700, ChiSquare = 9.3292e-05 1.Q70 HG3 = 1.028(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.3507e-05 1.K78 C = 184.176(S), Expected = 176.64, Std = 2.0000, ChiSquare = 1.6456e-04 1.K80 HB2 = 0.687(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.2311e-05 1.K80 HB3 = -0.075(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.7897e-11 1.K80 HG2 = 0.411(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.2561e-04 1.K80 HG3 = 0.411(S), Expected = 1.35, Std = 0.2800, ChiSquare = 7.9776e-04 1.K80 HD2 = 0.749(S), Expected = 1.61, Std = 0.2200, ChiSquare = 9.0917e-05 1.K80 HD3 = 0.354(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.4820e-08 1.K80 HE2 = 2.183(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.0491e-04 1.K80 HE3 = 2.081(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.3981e-05