Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.5 W 0.49 HN Overlap>> 1.E7 1.N8 1.E7 1.N8 1.D105 1.D105 C Shift Assignments>> CA :: 56.570 CB :: 30.948 CD2 :: 120.088 CE1 :: 138.352 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 :: 8.507 HA :: 4.539 HB2 :: 2.975 HB3 :: 2.995 HD1 :: 7.724 HD2 :: 6.885 HE1 :: 7.812 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.323 ND1 :: 122.340(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.51 W 0.48 C Shift Assignments>> CA :: 56.446 CB :: 31.127 CD2 :: 119.320 CE1 :: 138.344 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 :: 8.413 HA :: 4.547 HB2 :: 2.964 HB3 :: 2.979 HD1 :: 7.656 HD2 :: 7.721 HE1 :: 7.813 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.552 ND1 :: 119.506(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H3 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.57 H 0.42 C Shift Assignments>> CA :: 54.853 CB :: 31.255 CD2 :: 120.222 CE1 :: 134.560 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.892 HA :: 3.983 HB2 :: 2.411 HB3 :: 2.994 HD1 :: 7.179 HD2 :: 7.708 HE1 :: 6.869 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 :: 120.197 ND1 :: 117.150(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.51 W 0.48 HN Overlap>> 1.D44 1.E28 1.D44 1.E28 C Shift Assignments>> CA :: 55.685 CB :: 31.140 CD2 :: 120.135 CE1 :: 138.380 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 :: 8.098 HA :: 4.278 HB2 :: 2.853 HB3 :: 2.894 HD1 :: 7.668 HD2 :: 6.891 HE1 :: 7.826 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 :: 120.037 ND1 :: 110.859(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.52 W 0.47 HN Overlap>> 1.H6 1.E28 1.H6 1.E28 C Shift Assignments>> CA :: 55.813 CB :: 31.236 CD2 :: 119.401 CE1 :: 138.376 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 :: 8.087 HA :: 3.987 HB2 :: 2.400 HB3 :: 3.004 HD1 :: 8.173 HD2 :: 6.913 HE1 :: 8.168 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.908 ND1 :: 123.601(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H6 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.5 H 0.49 HN Overlap>> 1.E28 1.H5 1.E28 1.H5 C Shift Assignments>> CA :: 56.955 CB :: 30.164 CD2 :: 121.465 CE1 :: 138.730 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 :: 8.092 HA :: 4.201 HB2 :: 2.173 HB3 :: 2.177 HD1 :: 8.173 HD2 :: 7.312 HE1 :: 7.320 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.915 ND1 :: 123.557(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.74 K 0.1 Q 0.07 I 0.07 HN Overlap>> 1.N8 1.H1 1.D105 1.N8 1.H1 1.D105 C Shift Assignments>> CA :: 56.919 CB :: 30.181 CG :: 36.433 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 :: 8.571 HA :: 4.204 HB2 :: 1.910 HB3 :: 2.022 HG2 :: 2.180 HG3 :: 2.392 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.277 Ave N Shift Values>> N :: 120.67(3.48) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.19 Y 0.09 F 0.09 L 0.05 HN Overlap>> 1.E7 1.N119 1.E7 1.N119 1.H1 1.D105 1.H1 1.D105 C Shift Assignments>> CA :: 53.412 CB :: 38.778 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 :: 8.527 HA :: 4.664 HB2 :: 2.736 HB3 :: 2.747 HD21 :: 6.929 HD22 :: 7.595 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 :: 119.233 ND2 :: 112.657 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.02 A 0.02 C Shift Assignments>> CA :: 55.737 CB :: 42.296 CG :: 26.814 CD1 :: 23.501 CD2 :: 23.528 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 :: 8.103 HA :: 4.200 HB2 :: 1.344 HB3 :: 1.459 HG :: 1.443 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.255 Ave N Shift Values>> N :: 121.86(3.9) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.114 CB :: 38.549 CD1 :: 132.981 CE1 :: 118.075 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 :: 8.023 HA :: 4.473 HB2 :: 2.874 HB3 :: 2.934 HD1 :: 6.943 HD2 :: 6.979 HE1 :: 6.735 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 :: 119.652 Ave N Shift Values>> N :: 120.52(4.2) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 F 0.4 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> CA :: 58.020 CB :: 39.692 CD1 :: 131.540 CE1 :: 132.994 CZ :: 129.635 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 :: 7.988 HA :: 4.481 HB2 :: 3.000 HB3 :: 3.105 HD1 :: 7.212 HD2 :: 7.219 HE1 :: 7.006 HE2 :: 7.201 HZ :: 6.481 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.032 Ave N Shift Values>> N :: 120.45(4.18) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 K 0.38 E 0.11 R 0.03 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> CA :: 55.865 CB :: 29.442 CG :: 33.898 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 :: 7.886 HA :: 4.297 HB2 :: 1.967 HB3 :: 2.140 HG2 :: 2.300 HG3 :: 2.302 HE21 :: 6.843 HE22 :: 7.516 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 :: 120.027 NE2 :: 112.060 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q120 1.Q120 C Shift Assignments>> CA :: 61.646 CB :: 62.860 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.604 HA :: 4.341 HB2 :: 4.094 HB3 :: 4.119 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 :: 120.226 Ave N Shift Values>> N :: 116.28(3.52) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q101 1.Q101 C Shift Assignments>> CA :: 59.811 CB :: 63.403 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.889 HA :: 4.423 HB2 :: 3.875 HB3 :: 4.051 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 :: 118.155 Ave N Shift Values>> N :: 116.28(3.52) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 I 0.03 V 0.01 L 0.01 C Shift Assignments>> CA :: 54.951 CB :: 18.868 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.130 HA :: 4.416 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.107 Ave N Shift Values>> N :: 123.23(3.54) 1.K16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.71 K 0.21 L 0.05 G 0.02 C Shift Assignments>> CA :: 59.674 CB :: 29.416 CG :: 25.290 CD :: 27.083 CE :: 42.068 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 :: 8.103 HA :: 4.134 HB2 :: 1.709 HB3 :: 2.142 HG2 :: 0.861 HG3 :: 1.440 HD2 :: 0.873(S) HD3 :: 1.679 HE2 :: 2.933 HE3 :: 2.946 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 :: 118.243 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.1 R 0.09 I 0.04 C Shift Assignments>> CA :: 58.854 CB :: 28.381 CG :: 33.993 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 :: 8.070 HA :: 4.180 HB2 :: 2.202 HB3 :: 2.212 HG2 :: 2.296 HG3 :: 2.489 HE21 :: 6.842 HE22 :: 7.762 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 :: 120.678 NE2 :: 112.130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.13 D 0.1 K 0.09 I 0.06 N 0.01 HN Overlap>> 1.I121 1.I121 C Shift Assignments>> CA :: 57.690 CB :: 40.611 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 :: 8.523 HA :: 4.521 HB2 :: 2.493 HB3 :: 2.780 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 :: 121.801 Ave N Shift Values>> N :: 120.65(3.86) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 Y 0.22 C Shift Assignments>> CA :: 61.255 CB :: 38.995 CD1 :: 130.545 CE1 :: 130.651 CZ :: 130.595 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 :: 8.560 HA :: 4.317 HB2 :: 3.071 HB3 :: 3.193 HD1 :: 7.003 HD2 :: 7.010 HE1 :: 6.431 HE2 :: 6.820 HZ :: 6.448 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 :: 120.394 Ave N Shift Values>> N :: 120.45(4.18) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 I 0.14 V 0.01 HN Overlap>> 1.F11 1.F11 C Shift Assignments>> CA :: 55.526 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.008 HA :: 3.937 HB1 :: 1.571 HB2 :: 1.571 HB3 :: 1.571 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.074 Ave N Shift Values>> N :: 123.23(3.54) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.3 K 0.14 Q 0.07 C Shift Assignments>> CA :: 59.379 CB :: 28.754 CG :: 36.034 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 :: 8.255 HA :: 4.075 HB2 :: 2.175 HB3 :: 2.183 HG2 :: 2.281 HG3 :: 2.389 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 :: 120.422 Ave N Shift Values>> N :: 120.67(3.48) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 A 0.17 N 0.06 L 0.03 D 0.01 C Shift Assignments>> CA :: 48.078 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.643 HA2 :: 3.758 HA3 :: 3.764 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.414 Ave N Shift Values>> N :: 109.67(3.87) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.539 CB :: 31.453 CG1 :: 21.399 CG2 :: 23.280 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 :: 8.753 HA :: 3.534 HB :: 1.889 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.270 HG22 :: 0.270 HG23 :: 0.270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.750 Ave N Shift Values>> N :: 121.14(4.54) 1.K24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 K 0.09 G 0.06 V 0.02 C Shift Assignments>> CA :: 59.770 CB :: 32.202 CG :: 25.224 CD :: 25.297(S) CE :: 42.074 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 :: 7.617 HA :: 4.148 HB2 :: 1.952 HB3 :: 2.091 HG2 :: 1.421 HG3 :: 1.425 HD2 :: 1.428 HD3 :: 1.625 HE2 :: 2.975 HE3 :: 2.993 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 :: 121.438 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.23 G 0.03 C Shift Assignments>> CA :: 58.210 CB :: 42.518 CG :: 27.230 CD1 :: 23.442 CD2 :: 25.817 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 :: 8.346 HA :: 4.149 HB2 :: 2.158 HB3 :: 2.166 HG :: 1.836 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.792 HD22 :: 0.792 HD23 :: 0.792 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 :: 120.262 Ave N Shift Values>> N :: 121.86(3.9) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 60.284 CB :: 30.002 CD1 :: 124.756 CE3 :: 122.155 CZ2 :: 113.996 CZ3 :: 122.014 CH2 :: 124.571 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 :: 9.123 HA :: 4.435 HB2 :: 2.140 HB3 :: 2.366 HD1 :: 7.094 HE1 :: 10.135 HE3 :: 7.315 HZ2 :: 7.094 HZ3 :: 7.292 HH2 :: 7.147 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 :: 120.582 NE1 :: 129.265 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.32 E 0.13 R 0.09 I 0.07 C Shift Assignments>> CA :: 58.904 CB :: 28.124 CG :: 34.228 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 :: 8.190 HA :: 3.799 HB2 :: 2.111 HB3 :: 2.361 HG2 :: 2.750 HG3 :: 2.756 HE21 :: 6.799 HE22 :: 8.188 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 :: 116.677 NE2 :: 116.665 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.24 K 0.07 Q 0.04 HN Overlap>> 1.H6 1.D44 1.H6 1.D44 1.H4 1.H5 1.H4 1.H5 C Shift Assignments>> CA :: 59.406 CB :: 29.976 CG :: 36.419 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 :: 8.081 HA :: 4.000 HB2 :: 1.954 HB3 :: 2.107 HG2 :: 2.112 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 :: 120.009 Ave N Shift Values>> N :: 120.67(3.48) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 N 0.26 Y 0.15 F 0.09 K 0.04 D 0.02 Q 0.02 I 0.02 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> CA :: 54.940 CB :: 36.612 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 :: 8.832 HA :: 4.239 HB2 :: 2.003 HB3 :: 2.529 HD21 :: 7.341 HD22 :: 7.744 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 :: 118.654 ND2 :: 108.971 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 I 0.19 C Shift Assignments>> CA :: 55.554 CB :: 17.398 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.329 HA :: 3.932 HB1 :: 1.048 HB2 :: 1.048 HB3 :: 1.048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.528 Ave N Shift Values>> N :: 123.23(3.54) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.096 CB :: 31.993 CG1 :: 21.375 CG2 :: 22.400 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 :: 7.094 HA :: 3.795 HB :: 2.188 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.797 Ave N Shift Values>> N :: 121.14(4.54) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.01 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> CA :: 58.391 CB :: 41.956 CG :: 26.672 CD1 :: 22.678 CD2 :: 25.546 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 :: 7.578 HA :: 3.965 HB2 :: 2.194 HB3 :: 2.201 HG :: 1.924 HD11 :: 1.107 HD12 :: 1.107 HD13 :: 1.107 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 119.480 Ave N Shift Values>> N :: 121.86(3.9) 1.W33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 59.984 CB :: 29.688 CD1 :: 119.463(S) CE3 :: 119.398 CZ2 :: 114.042 CZ3 :: 119.403 CH2 :: 126.763 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 :: 8.963 HA :: 3.787 HB2 :: 3.395 HB3 :: 3.431 HD1 :: 7.593 HE1 :: 10.084 HE3 :: 7.230 HZ2 :: 7.232 HZ3 :: 7.579 HH2 :: 7.232 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 :: 118.751 NE1 :: 127.972 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.904 CB :: 68.874 CG2 :: 21.844 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 :: 7.967 HA :: 3.628 HB :: 4.305 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 113.984 Ave N Shift Values>> N :: 115.42(4.75) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.31 K 0.03 C Shift Assignments>> CA :: 59.380 CB :: 30.216 CG :: 27.938 CD :: 43.971 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 :: 8.010 HA :: 3.979 HB2 :: 1.640 HB3 :: 1.884 HG2 :: 1.641 HG3 :: 1.955 HD2 :: 3.021 HD3 :: 3.161 HE :: 8.012 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.164 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.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.32 K 0.31 G 0.01 C Shift Assignments>> CA :: 59.928 CB :: 41.216 CG :: 27.941 CD1 :: 25.340 CD2 :: 27.908 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 :: 8.605 HA :: 3.794 HB2 :: 1.689 HB3 :: 2.102 HG :: 1.097 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 1.095 HD22 :: 1.095 HD23 :: 1.095 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.208 Ave N Shift Values>> N :: 121.86(3.9) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.607 CB :: 31.436 CG1 :: 21.277 CG2 :: 22.164 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 :: 8.076 HA :: 3.170 HB :: 1.741 HG11 :: 0.760 HG12 :: 0.760 HG13 :: 0.760 HG21 :: 0.049 HG22 :: 0.049 HG23 :: 0.049 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 :: 120.521 Ave N Shift Values>> N :: 121.14(4.54) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.35 R 0.11 E 0.1 I 0.06 HN Overlap>> 1.K130 1.K130 C Shift Assignments>> CA :: 59.076 CB :: 28.158 CG :: 33.986 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 :: 7.592 HA :: 4.005 HB2 :: 1.630 HB3 :: 2.104 HG2 :: 2.375 HG3 :: 2.509 HE21 :: 6.779 HE22 :: 7.431 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 :: 117.631 NE2 :: 111.680 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 I 0.07 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> CA :: 55.002 CB :: 18.056 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.349 HA :: 4.243 HB1 :: 1.511 HB2 :: 1.511 HB3 :: 1.511 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.566 Ave N Shift Values>> N :: 123.23(3.54) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.36 C Shift Assignments>> CA :: 61.469 CB :: 39.063 CD1 :: 131.253 CE1 :: 131.325 CZ :: 128.887 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 :: 8.825 HA :: 3.960 HB2 :: 3.154 HB3 :: 3.160 HD1 :: 7.100 HD2 :: 7.143 HE1 :: 7.091 HE2 :: 7.290 HZ :: 6.833 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 :: 120.268 Ave N Shift Values>> N :: 120.45(4.18) 1.Q41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Q 0.37 K 0.33 E 0.12 R 0.09 I 0.05 HN Overlap>> 1.Q115 1.Q115 C Shift Assignments>> CA :: 58.688 CB :: 28.144 CG :: 34.178 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 :: 8.403 HA :: 3.890 HB2 :: 2.107 HB3 :: 2.518 HG2 :: 2.720 HG3 :: 2.725 HE21 :: 7.364 HE22 :: 7.595 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 :: 119.092 NE2 :: 117.633(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.765 CB :: 64.085 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.765 HA :: 4.480 HB2 :: 4.001 HB3 :: 4.007 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 :: 112.164 Ave N Shift Values>> N :: 116.28(3.52) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.191 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.665 HA2 :: 3.854 HA3 :: 4.019 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.825 Ave N Shift Values>> N :: 109.67(3.87) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.21 L 0.04 F 0.04 Y 0.04 HN Overlap>> 1.E28 1.H4 1.E28 1.H4 C Shift Assignments>> CA :: 51.731 CB :: 39.159 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 :: 8.090 HA :: 4.806 HB2 :: 2.530 HB3 :: 2.869 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 :: 120.029 Ave N Shift Values>> N :: 120.65(3.86) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 E 0.15 R 0.06 I 0.04 C Shift Assignments>> CA :: 58.362 CB :: 28.556 CG :: 34.210 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 :: 7.945 HA :: 3.665 HB2 :: 1.549 HB3 :: 1.704 HG2 :: 2.019 HG3 :: 2.018 HE21 :: 7.167 HE22 :: 8.327 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 :: 124.094 NE2 :: 117.251 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.708 CB :: 62.450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.561 HA :: 4.275 HB2 :: 3.973 HB3 :: 4.273 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 :: 113.984 Ave N Shift Values>> N :: 116.28(3.52) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> CA :: 66.129 CB :: 66.098 CG2 :: 22.760 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 :: 7.418 HA :: 3.992 HB :: 3.993 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 120.272 Ave N Shift Values>> N :: 115.42(4.75) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 68.018 CB :: 31.206 CG1 :: 22.117 CG2 :: 22.089 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 :: 7.639 HA :: 3.270 HB :: 2.024 HG11 :: 0.504 HG12 :: 0.504 HG13 :: 0.504 HG21 :: 0.505 HG22 :: 0.505 HG23 :: 0.505 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.079 Ave N Shift Values>> N :: 121.14(4.54) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 K 0.16 L 0.14 D 0.09 I 0.05 R 0.01 HN Overlap>> 1.E72 1.E72 C Shift Assignments>> CA :: 57.864 CB :: 41.036 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 :: 8.328 HA :: 4.293 HB2 :: 2.666 HB3 :: 2.799 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 :: 117.318 Ave N Shift Values>> N :: 120.65(3.86) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.543 CB :: 63.052 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.762 HA :: 4.241 HB2 :: 4.027 HB3 :: 4.059 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.242 Ave N Shift Values>> N :: 116.28(3.52) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 G 0.02 C Shift Assignments>> CA :: 57.864 CB :: 42.257 CG :: 26.857 CD1 :: 23.040 CD2 :: 23.338 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 :: 8.605 HA :: 4.190 HB2 :: 1.275 HB3 :: 2.017 HG :: 0.722 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 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 :: 123.553 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 HN Overlap>> 1.F85 1.F85 C Shift Assignments>> CA :: 58.367 CB :: 41.697 CG :: 26.085 CD1 :: 24.796 CD2 :: 24.799 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 :: 8.872 HA :: 4.134 HB2 :: 1.744 HB3 :: 2.018 HG :: 1.108 HD11 :: 1.140 HD12 :: 1.140 HD13 :: 1.140 HD21 :: 1.150 HD22 :: 1.150 HD23 :: 1.150 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 :: 120.598 Ave N Shift Values>> N :: 121.86(3.9) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 C Shift Assignments>> CA :: 59.770 CB :: 32.513 CG :: 25.506 CD :: 29.442 CE :: 42.111 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 :: 7.546 HA :: 4.165 HB2 :: 1.992 HB3 :: 1.999 HG2 :: 1.500 HG3 :: 1.721 HD2 :: 1.500 HD3 :: 1.728 HE2 :: 2.994 HE3 :: 3.012 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.839 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.3 E 0.28 I 0.06 R 0.01 HN Overlap>> 1.R87 1.R87 C Shift Assignments>> CA :: 59.166 CB :: 29.502 CG :: 34.620 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 :: 7.672 HA :: 4.142 HB2 :: 1.724 HB3 :: 2.239 HG2 :: 1.744 HG3 :: 2.533 HE21 :: 7.360 HE22 :: 7.535 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 :: 120.584 NE2 :: 117.483 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 G 0.01 C Shift Assignments>> CA :: 58.756 CB :: 42.052 CG :: 26.840 CD1 :: 24.822 CD2 :: 24.901 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 :: 8.721 HA :: 3.900 HB2 :: 1.358 HB3 :: 1.363 HG :: 1.067 HD11 :: 1.051 HD12 :: 1.051 HD13 :: 1.051 HD21 :: 1.055 HD22 :: 1.055 HD23 :: 1.055 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 :: 121.683 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.19 Y 0.19 L 0.17 D 0.11 I 0.03 R 0.02 N 0.01 C Shift Assignments>> CA :: 57.413 CB :: 41.186 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 :: 8.426 HA :: 4.400 HB2 :: 2.656 HB3 :: 2.877 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.483 Ave N Shift Values>> N :: 120.65(3.86) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 I 0.07 C Shift Assignments>> CA :: 54.967 CB :: 17.917 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.732 HA :: 4.236 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.462 Ave N Shift Values>> N :: 123.23(3.54) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 Y 0.19 F 0.15 D 0.11 E 0.07 L 0.03 I 0.02 C Shift Assignments>> CA :: 54.851 CB :: 38.045 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 :: 8.114 HA :: 4.557 HB2 :: 2.590 HB3 :: 3.130 HD21 :: 8.113 HD22 :: 8.116 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 :: 118.075 ND2 :: 118.092 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 I 0.19 V 0.04 L 0.01 C Shift Assignments>> CA :: 56.104 CB :: 18.659 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.191 HA :: 4.012 HB1 :: 1.910 HB2 :: 1.910 HB3 :: 1.910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.055 Ave N Shift Values>> N :: 123.23(3.54) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 I 0.09 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> CA :: 55.157 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.649 HA :: 4.300 HB1 :: 1.560 HB2 :: 1.560 HB3 :: 1.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.519 Ave N Shift Values>> N :: 123.23(3.54) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.11 K 0.06 C Shift Assignments>> CA :: 58.360 CB :: 30.076 CG :: 27.307 CD :: 43.356 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 :: 7.164 HA :: 4.129 HB2 :: 1.983 HB3 :: 1.988 HG2 :: 1.717 HG3 :: 1.750 HD2 :: 3.137 HD3 :: 3.359 HE :: 7.169 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 :: 117.246 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.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> CA :: 66.466 CB :: 30.237 CG1 :: 23.739 CG2 :: 23.914 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 :: 7.954 HA :: 2.907 HB :: 1.982 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 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 :: 119.948 Ave N Shift Values>> N :: 121.14(4.54) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.32 K 0.06 Q 0.03 C Shift Assignments>> CA :: 60.147 CB :: 30.018 CG :: 36.395 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 :: 8.326 HA :: 3.159 HB2 :: 1.990 HB3 :: 2.175 HG2 :: 2.172 HG3 :: 2.177 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.705 Ave N Shift Values>> N :: 120.67(3.48) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.38 E 0.11 R 0.06 I 0.03 C Shift Assignments>> CA :: 58.818 CB :: 28.769 CG :: 33.955 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 :: 7.150 HA :: 3.973 HB2 :: 2.098 HB3 :: 2.116 HG2 :: 2.369 HG3 :: 2.530 HE21 :: 7.152 HE22 :: 7.153 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.610 NE2 :: 115.680 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.01 C Shift Assignments>> CA :: 58.266 CB :: 42.004 CG :: 26.059 CD1 :: 23.762 CD2 :: 25.898 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 :: 7.753 HA :: 3.896 HB2 :: 1.598 HB3 :: 1.605 HG :: 1.296 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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 :: 119.891 Ave N Shift Values>> N :: 121.86(3.9) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.14 C Shift Assignments>> CA :: 58.124 CB :: 40.621 CG :: 24.899 CD1 :: 21.822 CD2 :: 21.969 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 :: 3.695 HB2 :: 0.924 HB3 :: 1.543 HG :: 1.155 HD11 :: 0.251 HD12 :: 0.251 HD13 :: 0.251 HD21 :: 0.248 HD22 :: 0.248 HD23 :: 0.248 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 :: 116.625 Ave N Shift Values>> N :: 121.86(3.9) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.33 R 0.12 E 0.09 I 0.05 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> CA :: 58.956 CB :: 28.016 CG :: 33.998 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 :: 7.752 HA :: 3.896 HB2 :: 2.076 HB3 :: 2.103 HG2 :: 2.379 HG3 :: 2.527 HE21 :: 6.771 HE22 :: 7.602 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.902 NE2 :: 111.549 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.23 C Shift Assignments>> CA :: 60.319 CB :: 30.294 CG :: 26.004 CD :: 41.168 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 :: 7.742 HA :: 3.934 HB2 :: 1.857 HB3 :: 1.992 HG2 :: 1.602 HG3 :: 1.602 HD2 :: 2.666 HD3 :: 2.880 HE :: 7.753 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.948 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.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.941 CB :: 39.217 CG1 :: 29.368 CG2 :: 18.206 CD1 :: 13.604 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 :: 8.457 HA :: 3.924 HB :: 1.814 HG12 :: 1.219 HG13 :: 2.137 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 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 :: 119.855 Ave N Shift Values>> N :: 121.46(4.28) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 67.016 CB :: 38.275 CG1 :: 31.652 CG2 :: 17.388 CD1 :: 13.846 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 :: 8.726 HA :: 3.295 HB :: 1.738 HG12 :: 0.598 HG13 :: 1.656 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 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 :: 122.548 Ave N Shift Values>> N :: 121.46(4.28) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.999 CB :: 63.005 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.312 HA :: 4.144 HB2 :: 4.014 HB3 :: 4.028 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 :: 116.742 Ave N Shift Values>> N :: 116.28(3.52) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.82 I 0.1 Q 0.04 K 0.03 HN Overlap>> 1.D49 1.D49 C Shift Assignments>> CA :: 58.714 CB :: 31.075 CG :: 36.527 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 :: 8.243 HA :: 4.268 HB2 :: 2.087 HB3 :: 2.115 HG2 :: 2.270 HG3 :: 2.420 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 :: 117.291 Ave N Shift Values>> N :: 120.67(3.48) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.075 CB :: 72.762 CG2 :: 21.669 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 :: 8.055 HA :: 4.743 HB :: 4.287 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 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 :: 128.380 Ave N Shift Values>> N :: 115.42(4.75) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.584 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.605 HA2 :: 3.808 HA3 :: 4.010 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.703 Ave N Shift Values>> N :: 109.67(3.87) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 D 0.12 K 0.08 F 0.07 Y 0.04 G 0.03 C Shift Assignments>> CA :: 55.569 CB :: 43.150 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 :: 7.312 HA :: 4.265 HB2 :: 2.470 HB3 :: 2.811 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.084 Ave N Shift Values>> N :: 120.65(3.86) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.21 K 0.13 Q 0.08 C Shift Assignments>> CA :: 59.376 CB :: 29.581 CG :: 36.008 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 :: 8.966 HA :: 3.967 HB2 :: 2.098 HB3 :: 2.103 HG2 :: 2.379 HG3 :: 2.384 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 :: 127.794 Ave N Shift Values>> N :: 120.67(3.48) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> CA :: 58.153 CB :: 40.588 CG :: 27.277 CD1 :: 22.915 CD2 :: 25.120 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 :: 8.317 HA :: 4.107 HB2 :: 1.515 HB3 :: 2.182 HG :: 1.789 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.986 HD22 :: 0.986 HD23 :: 0.986 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 :: 120.840 Ave N Shift Values>> N :: 121.86(3.9) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 I 0.01 C Shift Assignments>> CA :: 54.047 CB :: 18.740 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.286 HA :: 3.022 HB1 :: 1.008 HB2 :: 1.008 HB3 :: 1.008 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.036 Ave N Shift Values>> N :: 123.23(3.54) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 G 0.32 K 0.07 HN Overlap>> 1.G81 1.G81 C Shift Assignments>> CA :: 60.275 CB :: 30.125 CG :: 28.553 CD :: 43.689 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 :: 7.870 HA :: 3.940 HB2 :: 1.851 HB3 :: 1.862 HG2 :: 1.554 HG3 :: 1.564 HD2 :: 3.153 HD3 :: 3.155 HE :: 7.767 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 :: 116.486 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.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 R 0.44 K 0.06 HN Overlap>> 1.E127 1.E127 C Shift Assignments>> CA :: 60.017 CB :: 29.400 CG :: 25.450 CD :: 29.396 CE :: 43.909 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 :: 7.945 HA :: 3.962 HB2 :: 1.738 HB3 :: 1.764 HG2 :: 1.492 HG3 :: 1.713 HD2 :: 1.109 HD3 :: 1.730 HE2 :: 3.023 HE3 :: 3.149 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 :: 121.742 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.3 G 0.23 D 0.04 F 0.04 Y 0.02 K 0.01 HN Overlap>> 1.R79 1.R79 C Shift Assignments>> CA :: 43.935 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.869 HA2 :: 3.017 HA3 :: 3.154 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.418 Ave N Shift Values>> N :: 109.67(3.87) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.21 K 0.1 Q 0.06 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> CA :: 59.358 CB :: 29.838 CG :: 36.197 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 :: 8.315 HA :: 3.992 HB2 :: 2.113 HB3 :: 2.146 HG2 :: 2.166 HG3 :: 2.373 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 :: 120.727 Ave N Shift Values>> N :: 120.67(3.48) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N29 1.N29 C Shift Assignments>> CA :: 58.962 CB :: 61.522 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.830 HA :: 3.811 HB2 :: 3.969 HB3 :: 4.298 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 :: 118.555 Ave N Shift Values>> N :: 116.28(3.52) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 G 0.01 HN Overlap>> 1.A39 1.A39 C Shift Assignments>> CA :: 58.322 CB :: 41.824 CG :: 26.059 CD1 :: 23.172 CD2 :: 23.427 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 :: 8.359 HA :: 4.137 HB2 :: 1.751 HB3 :: 2.026 HG :: 1.121 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 123.492 Ave N Shift Values>> N :: 121.86(3.9) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 F 0.39 HN Overlap>> 1.L52 1.L52 C Shift Assignments>> CA :: 61.318 CB :: 39.066 CD1 :: 132.450 CE1 :: 131.636 CZ :: 127.446 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 :: 8.871 HA :: 3.962 HB2 :: 2.988 HB3 :: 3.156 HD1 :: 7.113 HD2 :: 7.149 HE1 :: 7.258 HE2 :: 7.268 HZ :: 7.158 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 :: 120.560 Ave N Shift Values>> N :: 120.45(4.18) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.26 R 0.16 E 0.09 I 0.07 C Shift Assignments>> CA :: 58.785 CB :: 27.490 CG :: 34.086 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 :: 8.658 HA :: 3.809 HB2 :: 1.754 HB3 :: 1.971 HG2 :: 2.526 HG3 :: 2.707 HE21 :: 6.776 HE22 :: 7.123 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 :: 118.440 NE2 :: 111.483 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.15 G 0.09 L 0.04 HN Overlap>> 1.Q54 1.Q54 C Shift Assignments>> CA :: 58.624 CB :: 29.335 CG :: 26.810 CD :: 43.227 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 :: 7.717 HA :: 4.135 HB2 :: 1.999 HB3 :: 2.007 HG2 :: 1.559 HG3 :: 1.846 HD2 :: 3.335 HD3 :: 3.346 HE :: 7.682 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.631 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.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 E 0.23 Y 0.18 F 0.12 D 0.04 I 0.02 K 0.02 L 0.01 C Shift Assignments>> CA :: 54.951 CB :: 37.184 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 :: 8.204 HA :: 4.468 HB2 :: 2.696 HB3 :: 3.004 HD21 :: 8.323 HD22 :: 8.327 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 :: 119.206 ND2 :: 117.246 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 R 0.11 E 0.08 I 0.04 C Shift Assignments>> CA :: 58.899 CB :: 28.183 CG :: 33.888 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 :: 8.419 HA :: 4.141 HB2 :: 2.353 HB3 :: 2.359 HG2 :: 2.293 HG3 :: 2.531 HE21 :: 7.120 HE22 :: 7.455 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 :: 120.637 NE2 :: 111.667 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 R 0.12 E 0.08 I 0.04 C Shift Assignments>> CA :: 58.880 CB :: 28.168 CG :: 33.868 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 :: 7.453 HA :: 4.129 HB2 :: 2.205 HB3 :: 2.347 HG2 :: 2.528 HG3 :: 2.534 HE21 :: 6.779 HE22 :: 7.418 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 :: 119.530 NE2 :: 110.740 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.01 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> CA :: 58.160 CB :: 41.779 CG :: 25.931 CD1 :: 22.861 CD2 :: 23.033 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 :: 7.828 HA :: 4.057 HB2 :: 1.103 HB3 :: 1.738 HG :: 0.794 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 121.909 Ave N Shift Values>> N :: 121.86(3.9) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.82 Y 0.17 C Shift Assignments>> CA :: 63.174 CB :: 38.847 CD1 :: 131.714 CE1 :: 129.683 CZ :: 127.500 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 :: 9.391 HA :: 4.131 HB2 :: 3.020 HB3 :: 3.163 HD1 :: 7.271 HD2 :: 7.740 HE1 :: 7.552 HE2 :: 7.749 HZ :: 7.650 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 :: 119.202 Ave N Shift Values>> N :: 120.45(4.18) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.772 CB :: 62.800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.731 HA :: 4.318 HB2 :: 4.089 HB3 :: 4.096 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.449 Ave N Shift Values>> N :: 116.28(3.52) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 R 0.1 E 0.09 I 0.04 HN Overlap>> 1.L91 1.L91 C Shift Assignments>> CA :: 58.817 CB :: 28.260 CG :: 33.910 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 :: 7.833 HA :: 4.118 HB2 :: 2.200 HB3 :: 2.204 HG2 :: 2.281 HG3 :: 2.527 HE21 :: 6.655 HE22 :: 7.111 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 :: 122.013 NE2 :: 108.557 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.02 R 0.01 C Shift Assignments>> CA :: 58.190 CB :: 41.876 CG :: 24.638 CD1 :: 24.690 CD2 :: 25.347 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 :: 8.679 HA :: 3.646 HB2 :: 1.659 HB3 :: 1.821 HG :: 0.608 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 120.021 Ave N Shift Values>> N :: 121.86(3.9) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.38 G 0.02 HN Overlap>> 1.Q67 1.Q67 C Shift Assignments>> CA :: 60.424 CB :: 32.615 CG :: 25.927 CD :: 29.979 CE :: 42.292 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 :: 7.759 HA :: 3.819 HB2 :: 2.074 HB3 :: 2.079 HG2 :: 1.607 HG3 :: 1.857 HD2 :: 1.853 HD3 :: 1.856 HE2 :: 3.041 HE3 :: 3.047 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 :: 115.979 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.111 CB :: 68.877 CG2 :: 21.986 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 :: 7.628 HA :: 4.073 HB :: 4.341 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 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 :: 116.217 Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.25 G 0.02 A 0.01 C Shift Assignments>> CA :: 58.213 CB :: 41.864 CG :: 26.621 CD1 :: 22.263 CD2 :: 26.641 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 :: 8.396 HA :: 4.145 HB2 :: 1.475 HB3 :: 1.800 HG :: 0.658 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 HD21 :: 0.656 HD22 :: 0.656 HD23 :: 0.656 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 :: 123.281 Ave N Shift Values>> N :: 121.86(3.9) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.9 F 0.09 C Shift Assignments>> CA :: 58.375 CB :: 37.733 CD1 :: 131.650 CE1 :: 127.336 CZ :: 131.309 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 :: 8.829 HA :: 4.149 HB2 :: 3.331 HB3 :: 3.335 HD1 :: 7.256 HD2 :: 7.268 HE1 :: 6.855 HE2 :: 7.252 HZ :: 7.084 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 :: 118.422 Ave N Shift Values>> N :: 120.45(4.18) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.015 CB :: 61.663 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.071 HA :: 4.128 HB2 :: 4.337 HB3 :: 4.350 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 :: 116.351 Ave N Shift Values>> N :: 116.28(3.52) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 K 0.37 E 0.14 R 0.03 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> CA :: 56.102 CB :: 29.438 CG :: 34.033 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 :: 7.890 HA :: 4.396 HB2 :: 2.270 HB3 :: 2.557 HG2 :: 2.524 HG3 :: 2.570 HE21 :: 6.762 HE22 :: 7.431 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 :: 118.183 NE2 :: 111.036 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.267 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.950 HA2 :: 4.019 HA3 :: 4.150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.928 Ave N Shift Values>> N :: 109.67(3.87) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.27 L 0.07 F 0.06 Y 0.05 C Shift Assignments>> CA :: 52.395 CB :: 39.548 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 :: 7.887 HA :: 4.932 HB2 :: 2.538 HB3 :: 2.995 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.845 Ave N Shift Values>> N :: 120.65(3.86) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 I 0.27 K 0.04 Q 0.02 C Shift Assignments>> CA :: 59.649 CB :: 30.255 CG :: 36.697 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 :: 8.167 HA :: 4.177 HB2 :: 2.159 HB3 :: 2.165 HG2 :: 2.339 HG3 :: 2.343 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 :: 123.606 Ave N Shift Values>> N :: 120.67(3.48) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.27 L 0.12 K 0.09 D 0.09 I 0.07 N 0.01 HN Overlap>> 1.E7 1.N8 1.H1 1.E7 1.N8 1.H1 C Shift Assignments>> CA :: 57.899 CB :: 40.667 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 :: 8.572 HA :: 4.517 HB2 :: 2.733 HB3 :: 2.752 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.263 Ave N Shift Values>> N :: 120.65(3.86) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.768 CB :: 66.926 CG2 :: 23.286 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 :: 8.209 HA :: 4.048 HB :: 3.879 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 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 :: 118.508 Ave N Shift Values>> N :: 115.42(4.75) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 I 0.18 V 0.01 C Shift Assignments>> CA :: 55.739 CB :: 18.009 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 :: 3.661 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.811 Ave N Shift Values>> N :: 123.23(3.54) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.39 G 0.02 C Shift Assignments>> CA :: 60.382 CB :: 32.610 CG :: 25.961 CD :: 29.948 CE :: 42.319 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 :: 8.055 HA :: 3.814 HB2 :: 2.076 HB3 :: 2.085 HG2 :: 1.597 HG3 :: 1.856 HD2 :: 1.857 HD3 :: 1.861 HE2 :: 3.047 HE3 :: 3.049 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 :: 116.238 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 I 0.07 C Shift Assignments>> CA :: 55.003 CB :: 18.095 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.240 HA :: 4.245 HB1 :: 1.579 HB2 :: 1.579 HB3 :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.263 Ave N Shift Values>> N :: 123.23(3.54) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.741 CB :: 31.323 CG1 :: 23.264 CG2 :: 23.375 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 :: 7.990 HA :: 3.707 HB :: 1.992 HG11 :: 1.239 HG12 :: 1.239 HG13 :: 1.239 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.075 Ave N Shift Values>> N :: 121.14(4.54) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 G 0.02 C Shift Assignments>> CA :: 58.890 CB :: 41.711 CG :: 25.057 CD1 :: 25.282 CD2 :: 25.919 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 :: 8.547 HA :: 4.079 HB2 :: 1.549 HB3 :: 1.959 HG :: 1.158 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 HD21 :: 0.329 HD22 :: 0.329 HD23 :: 0.329 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 :: 120.262 Ave N Shift Values>> N :: 121.86(3.9) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.31 K 0.09 Q 0.03 C Shift Assignments>> CA :: 59.390 CB :: 29.397 CG :: 36.519 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 :: 7.735 HA :: 4.114 HB2 :: 2.106 HB3 :: 2.169 HG2 :: 2.328 HG3 :: 2.522 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 :: 117.636 Ave N Shift Values>> N :: 120.67(3.48) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.29 K 0.1 Q 0.04 C Shift Assignments>> CA :: 59.552 CB :: 29.407 CG :: 36.307 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 :: 7.779 HA :: 4.078 HB2 :: 2.111 HB3 :: 2.376 HG2 :: 2.106 HG3 :: 2.188 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 :: 123.483 Ave N Shift Values>> N :: 120.67(3.48) 1.I114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.421 CB :: 37.723 CG1 :: 30.730 CG2 :: 17.680 CD1 :: 13.200 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 :: 8.634 HA :: 3.662 HB :: 1.732 HG12 :: 0.176 HG13 :: 1.585 HG21 :: -0.231(S) HG22 :: -0.231(S) HG23 :: -0.231(S) HD11 :: -0.064 HD12 :: -0.064 HD13 :: -0.064 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 :: 120.955 Ave N Shift Values>> N :: 121.46(4.28) 1.Q115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Q 0.39 K 0.38 E 0.14 R 0.03 I 0.03 HN Overlap>> 1.Q41 1.Q41 C Shift Assignments>> CA :: 58.812 CB :: 29.236 CG :: 34.014 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 :: 8.412 HA :: 3.785 HB2 :: 2.518 HB3 :: 2.521 HG2 :: 2.339 HG3 :: 2.727 HE21 :: 7.356 HE22 :: 7.728 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 :: 119.003 NE2 :: 117.610(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.665 CB :: 62.748 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.093 HA :: 4.308 HB2 :: 4.081 HB3 :: 4.091 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.079 Ave N Shift Values>> N :: 116.28(3.52) 1.N117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> Y 0.28 F 0.21 E 0.17 N 0.16 I 0.05 D 0.05 L 0.02 K 0.01 C Shift Assignments>> CA :: 56.172 CB :: 37.713 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 :: 8.079 HA :: 4.548 HB2 :: 1.732(S) HB3 :: 3.317 HD21 :: 7.608 HD22 :: 8.084 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.585 ND2 :: 120.310(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 58.425 CB :: 40.498 CG :: 26.303 CD1 :: 22.742 CD2 :: 24.147 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 :: 9.182 HA :: 4.100 HB2 :: 1.378 HB3 :: 1.958 HG :: 1.373 HD11 :: 0.600 HD12 :: 0.600 HD13 :: 0.600 HD21 :: -0.296(S) HD22 :: -0.296(S) HD23 :: -0.296(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 :: 121.543 Ave N Shift Values>> N :: 121.86(3.9) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 Y 0.24 F 0.16 N 0.16 I 0.04 D 0.03 K 0.02 L 0.01 HN Overlap>> 1.N8 1.N8 C Shift Assignments>> CA :: 55.978 CB :: 37.257 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 :: 8.500 HA :: 4.527 HB2 :: 2.970 HB3 :: 3.195 HD21 :: 7.170 HD22 :: 7.778 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 :: 119.156 ND2 :: 111.226 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.31 K 0.28 I 0.06 R 0.01 HN Overlap>> 1.S13 1.S13 C Shift Assignments>> CA :: 59.043 CB :: 29.528 CG :: 34.715 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 :: 7.611 HA :: 4.131 HB2 :: 2.370 HB3 :: 2.380 HG2 :: 2.641 HG3 :: 2.644 HE21 :: 7.173 HE22 :: 7.360 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 :: 120.248 NE2 :: 117.426 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 V 0.24 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> CA :: 65.564 CB :: 37.235 CG1 :: 22.901 CG2 :: 18.198 CD1 :: 14.299 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 :: 8.492 HA :: 3.198 HB :: 1.732 HG12 :: 0.594 HG13 :: 0.841 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 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 :: 121.744 Ave N Shift Values>> N :: 121.46(4.28) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 R 0.11 E 0.09 I 0.04 C Shift Assignments>> CA :: 58.852 CB :: 28.250 CG :: 33.904 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.588 HA :: 3.125 HB2 :: 2.207 HB3 :: 2.472 HG2 :: 2.428 HG3 :: 2.464 HE21 :: 7.165 HE22 :: 7.297 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 :: 119.640 NE2 :: 114.402 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 R 0.11 E 0.09 I 0.05 C Shift Assignments>> CA :: 58.982 CB :: 28.169 CG :: 33.928 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 :: 7.182 HA :: 4.007 HB2 :: 2.193 HB3 :: 2.530 HG2 :: 2.199 HG3 :: 2.470 HE21 :: 6.835 HE22 :: 7.459 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 :: 117.114 NE2 :: 111.897 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.507 CB :: 38.536 CG1 :: 29.310 CG2 :: 18.310 CD1 :: 14.291 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 :: 7.392 HA :: 3.787 HB :: 1.900 HG12 :: 1.117 HG13 :: 1.747 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 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 :: 121.124 Ave N Shift Values>> N :: 121.46(4.28) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.070 CB :: 37.706 CG1 :: 29.064 CG2 :: 16.082 CD1 :: 16.082 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 :: 8.085 HA :: 3.342 HB :: 1.163 HG12 :: 0.804 HG13 :: 0.806 HG21 :: 0.372 HG22 :: 0.372 HG23 :: 0.372 HD11 :: 0.371 HD12 :: 0.371 HD13 :: 0.371 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 :: 120.289 Ave N Shift Values>> N :: 121.46(4.28) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.820 CB :: 68.835 CG2 :: 21.939 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 :: 8.315 HA :: 3.989 HB :: 4.195 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 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 :: 116.459 Ave N Shift Values>> N :: 115.42(4.75) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.27 K 0.12 Q 0.07 HN Overlap>> 1.K80 1.K80 C Shift Assignments>> CA :: 59.592 CB :: 29.309 CG :: 36.064 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 :: 7.937 HA :: 4.166 HB2 :: 2.093 HB3 :: 2.170 HG2 :: 2.288 HG3 :: 2.291 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 :: 121.732 Ave N Shift Values>> N :: 120.67(3.48) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.05 V 0.02 I 0.01 C Shift Assignments>> CA :: 54.930 CB :: 19.733 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.285 HA :: 3.852 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.313 Ave N Shift Values>> N :: 123.23(3.54) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.21 Q 0.2 I 0.11 C Shift Assignments>> CA :: 58.929 CB :: 29.450 CG :: 35.364 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 :: 8.406 HA :: 4.054 HB2 :: 2.386 HB3 :: 2.388 HG2 :: 2.702 HG3 :: 2.706 HE21 :: 6.768 HE22 :: 6.774 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 :: 117.226 NE2 :: 111.239 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.26 G 0.01 HN Overlap>> 1.Q38 1.Q38 C Shift Assignments>> CA :: 57.759 CB :: 32.611 CG :: 25.455 CD :: 29.422 CE :: 42.087 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 :: 7.557 HA :: 4.197 HB2 :: 1.933 HB3 :: 1.983 HG2 :: 1.680 HG3 :: 1.688 HD2 :: 1.489 HD3 :: 1.698 HE2 :: 2.935 HE3 :: 2.948 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.546 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.12 K 0.09 C Shift Assignments>> CA :: 56.667 CB :: 31.175 CG :: 27.202 CD :: 43.479 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 :: 7.360 HA :: 4.296 HB2 :: 1.753 HB3 :: 1.919 HG2 :: 1.649 HG3 :: 1.793 HD2 :: 3.148 HD3 :: 3.336 HE :: 7.422 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 :: 117.582 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.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 G 0.11 R 0.01 C Shift Assignments>> CA :: 57.010 CB :: 43.249 CG :: 27.210 CD1 :: 23.478 CD2 :: 23.515 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 :: 7.420 HA :: 4.135 HB2 :: 1.546 HB3 :: 1.618 HG :: 0.844 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.859 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 118 #Clerical: 0 #Suspicious: 8 #Anomalous: 6 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 132 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 0 C Shift Results: #Consistent: 449 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 975 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 156 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 6 Error Summary: 1.H1 ND1 = 122.340(A), Expected = 195.02, Std = 18.5100, ChiSquare = 8.6182e-05 1.H2 ND1 = 119.506(A), Expected = 195.02, Std = 18.5100, ChiSquare = 4.5107e-05 1.H3 ND1 = 117.150(A), Expected = 195.02, Std = 18.5100, ChiSquare = 2.5888e-05 1.H4 ND1 = 110.859(A), Expected = 195.02, Std = 18.5100, ChiSquare = 5.4471e-06 1.H5 ND1 = 123.601(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.1413e-04 1.H6 ND1 = 123.557(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.1303e-04 1.K16 HD2 = 0.873(S), Expected = 1.61, Std = 0.2200, ChiSquare = 8.0812e-04 1.K24 CD = 25.297(S), Expected = 28.96, Std = 1.0800, ChiSquare = 6.9469e-04 1.W33 CD1 = 119.463(S), Expected = 126.51, Std = 1.8300, ChiSquare = 1.1772e-04 1.Q41 NE2 = 117.633(S), Expected = 111.87, Std = 1.7200, ChiSquare = 8.0642e-04 1.I114 HG21 = -0.231(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.0939e-04 1.I114 HG22 = -0.231(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.0939e-04 1.I114 HG23 = -0.231(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.0939e-04 1.Q115 NE2 = 117.610(S), Expected = 111.87, Std = 1.7200, ChiSquare = 8.4624e-04 1.N117 HB2 = 1.732(S), Expected = 2.81, Std = 0.3100, ChiSquare = 5.0627e-04 1.N117 ND2 = 120.310(S), Expected = 112.75, Std = 2.2300, ChiSquare = 6.9858e-04 1.L118 HD21 = -0.296(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.0328e-04 1.L118 HD22 = -0.296(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.0328e-04 1.L118 HD23 = -0.296(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.0328e-04