Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.44 C 0.36 A 0.18 C Shift Assignments>> C :: 172.711 CA :: 54.899 CB :: 33.402 CG :: 30.901 CE :: 16.879 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.086 HB2 :: 2.152 HB3 :: 2.110 HG2 :: 2.587 HG3 :: 2.554 HE1 :: 2.131 HE2 :: 2.131 HE3 :: 2.131 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.I110 1.I110 C Shift Assignments>> C :: 175.009 CA :: 61.129 CB :: 38.112 CG1 :: 27.732 CG2 :: 17.783 CD1 :: 12.270 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.636 HA :: 3.988 HB :: 1.767 HG12 :: 1.449 HG13 :: 1.185 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.480 Ave N Shift Values>> N :: 121.6(4.72) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 Q 0.11 R 0.07 M 0.04 C Shift Assignments>> C :: 174.532 CA :: 54.753 CB :: 33.833 CG :: 25.405 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.840 HA :: 4.491 HB2 :: 1.748 HB3 :: 1.551 HG2 :: 1.419 HG3 :: 1.419 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.33 K 0.27 G 0.05 C Shift Assignments>> C :: 176.091 CA :: 55.088 CB :: 32.448 CG :: 28.173 CD :: 43.100 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.122 HA :: 4.751 HB2 :: 1.972 HB3 :: 1.727 HG2 :: 1.697 HG3 :: 1.624 HD2 :: 3.223 HD3 :: 3.223 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.016 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 HN Overlap>> 1.G128 1.G128 C Shift Assignments>> C :: 172.155 CA :: 43.035 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.845 HA2 :: 3.470 HA3 :: 3.469 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.631 Ave N Shift Values>> N :: 109.91(4.29) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> CA :: 52.545 CB :: 39.412 CD1 :: 130.526 CD2 :: 130.526 CE1 :: 130.344 CE2 :: 130.344 CZ :: 127.907 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.410 HA :: 5.380 HB2 :: 3.342 HB3 :: 2.647 HD1 :: 6.209 HD2 :: 6.209 HE1 :: 6.744 HE2 :: 6.744 HZ :: 6.543 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.158 Ave N Shift Values>> N :: 120.69(4.18) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.932 CA :: 62.348 CB :: 32.346 CG :: 28.112 CD :: 50.594 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.657 HB2 :: 2.447 HB3 :: 1.863 HG2 :: 2.157 HG3 :: 2.079 HD2 :: 4.040 HD3 :: 3.728 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.73 M 0.24 C 0.01 C Shift Assignments>> C :: 177.711 CA :: 52.503 CB :: 18.115 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.199 HA :: 4.233 HB1 :: 0.094(S) HB2 :: 0.094(S) HB3 :: 0.094(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.012 Ave N Shift Values>> N :: 123.23(3.7) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 173.356 CA :: 62.037 CB :: 32.848 CG1 :: 21.049 CG2 :: 21.297 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.200 HA :: 4.194 HB :: 1.854 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.364 Ave N Shift Values>> N :: 121.02(4.96) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.25 G 0.13 A 0.07 R 0.03 C Shift Assignments>> C :: 175.366 CA :: 53.741 CB :: 43.221 CG :: 25.345 CD1 :: 23.017 CD2 :: 25.875 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.849 HA :: 4.618 HB2 :: 1.945 HB3 :: 1.546 HG :: 1.215 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 HD21 :: 0.571 HD22 :: 0.571 HD23 :: 0.571 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.028 Ave N Shift Values>> N :: 121.98(4.07) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 K 0.12 C 0.1 N 0.09 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 175.051 CA :: 53.878 CB :: 41.426 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.133 HA :: 4.446 HB2 :: 3.088 HB3 :: 2.817 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.111 Ave N Shift Values>> N :: 120.73(4.2) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.23 K 0.15 I 0.13 Q 0.11 R 0.01 C Shift Assignments>> C :: 178.082 CA :: 58.879 CB :: 28.006 CG :: 35.396 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.889 HA :: 4.382 HB2 :: 2.111 HB3 :: 2.041 HG2 :: 2.225 HG3 :: 2.225 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.126 Ave N Shift Values>> N :: 120.68(3.68) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.41 C 0.14 C Shift Assignments>> C :: 175.156 CA :: 52.783 CB :: 40.200 CG :: 177.165 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.073 HA :: 4.891 HB2 :: 2.868 HB3 :: 2.737 HD21 :: 7.812 HD22 :: 7.000 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.280 ND2 :: 115.474 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.R157 1.R157 C Shift Assignments>> C :: 173.669 CA :: 66.996 CB :: 69.166 CG2 :: 22.037 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.855 HA :: 3.242 HB :: 3.884 HG1 :: 5.685 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.609 Ave N Shift Values>> N :: 115.7(5.05) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 E 0.14 M 0.12 I 0.01 C Shift Assignments>> C :: 176.444 CA :: 57.016 CB :: 33.807 CG :: 36.950 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.925 HA :: 4.833 HB2 :: 2.312 HB3 :: 2.234 HG2 :: 2.677 HG3 :: 2.397 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.978 Ave N Shift Values>> N :: 120.68(3.68) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.41 G 0.01 C Shift Assignments>> C :: 172.982 CA :: 59.815 CB :: 42.024 CG1 :: 27.355 CG2 :: 17.438 CD1 :: 14.393 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.044 HA :: 5.110 HB :: 1.755 HG12 :: 1.596 HG13 :: 0.968 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.821 Ave N Shift Values>> N :: 121.6(4.72) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.3 L 0.12 A 0.05 C Shift Assignments>> C :: 173.861 CA :: 52.431 CB :: 46.689 CG :: 27.101 CD1 :: 23.560 CD2 :: 26.465 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.436 HA :: 4.759 HB2 :: 1.691 HB3 :: 1.066 HG :: 1.216 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.000 Ave N Shift Values>> N :: 121.98(4.07) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.289 CA :: 60.295 CB :: 38.785 CG1 :: 27.757 CG2 :: 17.312 CD1 :: 14.736 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.729 HA :: 4.658 HB :: 2.099 HG12 :: 1.801 HG13 :: 0.879 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.905 Ave N Shift Values>> N :: 121.6(4.72) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.35 C 0.17 R 0.03 C Shift Assignments>> C :: 177.268 CA :: 52.709 CB :: 44.413 CG :: 26.647 CD1 :: 26.553 CD2 :: 25.638 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.986 HA :: 5.122 HB2 :: 1.462 HB3 :: 1.250 HG :: 1.107 HD11 :: 0.227 HD12 :: 0.227 HD13 :: 0.227 HD21 :: 0.649 HD22 :: 0.649 HD23 :: 0.649 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.757 Ave N Shift Values>> N :: 121.98(4.07) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.423 CA :: 44.742 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.340 HA2 :: 4.707 HA3 :: 4.132 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.686 Ave N Shift Values>> N :: 109.91(4.29) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.666 CA :: 58.608 CB :: 62.968 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.745 HA :: 4.293 HB2 :: 3.905 HB3 :: 3.815 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.850 Ave N Shift Values>> N :: 116.3(3.95) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.28 L 0.12 A 0.05 C Shift Assignments>> CA :: 51.824 CB :: 47.852 CG :: 26.679 CD1 :: 24.143 CD2 :: 25.191 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.952 HA :: 4.565 HB2 :: 1.383 HB3 :: 1.337 HG :: 1.404 HD11 :: 0.522 HD12 :: 0.522 HD13 :: 0.522 HD21 :: 0.510 HD22 :: 0.510 HD23 :: 0.510 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.276 Ave N Shift Values>> N :: 121.98(4.07) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 176.431 CA :: 63.226 CB :: 32.549 CG :: 27.081 CD :: 50.720 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.236 HB2 :: 2.169 HB3 :: 1.442 HG2 :: 1.339 HG3 :: 0.780 HD2 :: 3.530 HD3 :: 2.847 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S98 1.S98 C Shift Assignments>> C :: 173.724 CA :: 57.778 CB :: 65.126 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.841 HA :: 4.313 HB2 :: 4.533 HB3 :: 4.326 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.615 Ave N Shift Values>> N :: 116.3(3.95) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.13 D 0.03 L 0.03 E 0.02 K 0.01 N 0.01 C Shift Assignments>> C :: 179.418 CA :: 58.343 CB :: 39.387 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.238 HA :: 4.334 HB2 :: 2.686 HB3 :: 2.686 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.184 Ave N Shift Values>> N :: 120.73(4.2) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.26 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.985 CA :: 59.677 CB :: 29.402 CG :: 36.686 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.061 HA :: 4.247 HB2 :: 2.116 HB3 :: 1.783 HG2 :: 2.432 HG3 :: 2.281 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.976 Ave N Shift Values>> N :: 120.68(3.68) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.M103 1.M103 C Shift Assignments>> C :: 176.565 CA :: 63.617 CB :: 62.992 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.788 HA :: 4.217 HB2 :: 4.502 HB3 :: 4.411 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.552 Ave N Shift Values>> N :: 116.3(3.95) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 179.307 CA :: 66.080 CB :: 38.091 CG1 :: 29.507 CG2 :: 17.091 CD1 :: 13.983 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.576 HA :: 3.716 HB :: 1.950 HG12 :: 1.617 HG13 :: 0.988 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.808 Ave N Shift Values>> N :: 121.6(4.72) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 HN Overlap>> 1.E93 1.E93 C Shift Assignments>> C :: 178.443 CA :: 59.921 CB :: 30.131 CG :: 27.662 CD :: 43.289 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.289 HA :: 4.043 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 1.753 HG3 :: 1.609 HD2 :: 3.304 HD3 :: 3.202 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.582 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.33 R 0.27 M 0.02 C Shift Assignments>> C :: 175.145 CA :: 56.852 CB :: 33.815 CG :: 25.672 CD :: 29.880 CE :: 42.135 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.663 HA :: 4.065 HB2 :: 1.608 HB3 :: 1.516 HG2 :: 1.590 HG3 :: 1.372 HD2 :: 1.512 HD3 :: 1.512 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.707 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 Q 0.25 E 0.12 C Shift Assignments>> C :: 174.201 CA :: 56.034 CB :: 26.379 CG :: 34.022 CD :: 181.404(A) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.121 HA :: 3.248 HB2 :: 2.176 HB3 :: 1.893 HG2 :: 2.244 HG3 :: 2.244 HE21 :: 8.171 HE22 :: 7.257 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.053 NE2 :: 115.526 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 E 0.23 Q 0.02 HN Overlap>> 1.W42 1.W42 C Shift Assignments>> C :: 174.803 CA :: 53.725 CB :: 34.129 CG :: 31.714 CD :: 179.951 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.654 HA :: 3.888 HB2 :: 1.308 HB3 :: 0.970(S) HG2 :: 1.856 HG3 :: 0.522(S) HE21 :: 7.399 HE22 :: 6.748 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.538 NE2 :: 110.001 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 HN Overlap>> 1.T64 1.T64 C Shift Assignments>> C :: 175.982 CA :: 61.552 CB :: 39.645 CD1 :: 133.549 CD2 :: 133.549 CE1 :: 118.494 CE2 :: 118.494 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.314 HA :: 4.004 HB2 :: 3.039 HB3 :: 2.885 HD1 :: 7.169 HD2 :: 7.169 HE1 :: 6.909 HE2 :: 6.909 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.570 Ave N Shift Values>> N :: 120.79(4.69) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.21 Y 0.16 I 0.16 F 0.08 M 0.03 K 0.02 V 0.02 C Shift Assignments>> C :: 176.920 CA :: 59.292 CB :: 36.703 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.067 HA :: 4.559 HB2 :: 2.775 HB3 :: 2.777 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.806 Ave N Shift Values>> N :: 120.79(4.69) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.031 CA :: 45.273 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.026 HA2 :: 4.405 HA3 :: 3.114 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.884 Ave N Shift Values>> N :: 109.91(4.29) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.36 C 0.12 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> CA :: 51.072 CB :: 40.377 CG :: 176.962 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.326 HA :: 4.900 HB2 :: 3.543 HB3 :: 2.833 HD21 :: 7.923 HD22 :: 7.357 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.056 ND2 :: 115.226 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.173 CA :: 64.725 CB :: 31.822 CG :: 27.420 CD :: 51.577 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.670 HB2 :: 2.452 HB3 :: 2.063 HG2 :: 2.095 HG3 :: 2.095 HD2 :: 4.149 HD3 :: 3.982 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.638 CA :: 45.275 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.528 HA2 :: 4.103 HA3 :: 3.748 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.076 Ave N Shift Values>> N :: 109.91(4.29) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.49 N 0.26 C 0.23 C Shift Assignments>> C :: 176.331 CA :: 54.777 CB :: 40.791 CG :: 177.458 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.073 HA :: 4.518 HB2 :: 3.047 HB3 :: 3.047 HD21 :: 8.224 HD22 :: 7.858 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.130 ND2 :: 118.472 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.16 F 0.15 C 0.13 Y 0.13 K 0.12 N 0.05 R 0.02 I 0.01 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 175.286 CA :: 55.890 CB :: 40.773 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.567 HA :: 4.927 HB2 :: 2.810 HB3 :: 2.531 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.100 Ave N Shift Values>> N :: 120.73(4.2) 1.F41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.61 F 0.14 C 0.13 Y 0.09 C Shift Assignments>> CA :: 63.880 CB :: 40.382 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.648 HA :: 2.887 HB2 :: 2.360 HB3 :: 1.376(S) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.671 Ave N Shift Values>> N :: 120.69(4.18) 1.W42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 H 0.13 W 0.04 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 181.439(A) CA :: 58.146 CB :: 27.859 CD1 :: 129.815(A) CE3 :: 120.425 CZ2 :: 116.931 CH2 :: 123.958 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.652 HA :: 4.078 HB2 :: 3.541 HB3 :: 3.052 HD1 :: 8.079 HE1 :: 10.656 HE3 :: 7.568 HZ2 :: 8.136 HZ3 :: 7.036 HH2 :: 7.088 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.532 NE1 :: 131.895 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 I 0.12 E 0.11 R 0.1 V 0.09 H 0.07 Q 0.05 K 0.04 M 0.02 P 0.02 C Shift Assignments>> C :: 178.489 CA :: 60.242 CB :: 30.227 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.115 HA :: 4.042 HB2 :: 1.831 HB3 :: 1.760 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.311 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.59 C 0.36 G 0.02 HN Overlap>> 1.N36 1.N36 C Shift Assignments>> C :: 179.742 CA :: 57.671 CB :: 42.225 CG :: 26.335 CD1 :: 23.267 CD2 :: 22.859 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.317 HA :: 3.871 HB2 :: 0.859 HB3 :: 0.407 HG :: 1.174 HD11 :: -0.722(S) HD12 :: -0.722(S) HD13 :: -0.722(S) HD21 :: 0.538 HD22 :: 0.538 HD23 :: 0.538 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.076 Ave N Shift Values>> N :: 121.98(4.07) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.661 CA :: 66.434 CB :: 31.563 CG1 :: 21.265 CG2 :: 23.142 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.970 HA :: 3.176 HB :: 1.163 HG11 :: 0.310 HG12 :: 0.310 HG13 :: 0.310 HG21 :: 0.121 HG22 :: 0.121 HG23 :: 0.121 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.192 Ave N Shift Values>> N :: 121.02(4.96) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 C 0.17 G 0.13 A 0.12 N 0.05 D 0.02 C Shift Assignments>> C :: 176.613 CA :: 48.495 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.096 HA2 :: 4.348 HA3 :: 3.722 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.698 Ave N Shift Values>> N :: 109.91(4.29) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.3 H 0.27 HN Overlap>> 1.R143 1.R143 C Shift Assignments>> C :: 177.230 CA :: 59.522 CB :: 28.361 CD2 :: 120.205 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.103 HA :: 4.257 HB2 :: 3.403 HB3 :: 3.323 HD2 :: 7.357 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.389 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.33 L 0.08 C 0.07 V 0.03 T 0.02 C Shift Assignments>> C :: 178.546 CA :: 55.130 CB :: 20.414 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.334 HA :: 4.080 HB1 :: 1.631 HB2 :: 1.631 HB3 :: 1.631 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.629 Ave N Shift Values>> N :: 123.23(3.7) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.755 CA :: 60.996 CB :: 38.699 CG1 :: 25.026 CG2 :: 16.545 CD1 :: 13.669 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.728 HA :: 4.469 HB :: 2.099 HG12 :: 1.524 HG13 :: 1.076 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.581 HD12 :: 0.581 HD13 :: 0.581 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 106.332 Ave N Shift Values>> N :: 121.6(4.72) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 174.490 CA :: 46.736 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.751 HA2 :: 3.927 HA3 :: 3.789 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.922 Ave N Shift Values>> N :: 109.91(4.29) 1.E51 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 M 0.38 Q 0.05 E 0.02 C Shift Assignments>> C :: 175.655 CA :: 54.130 CB :: 33.963 CG :: 33.938 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.167 HA :: 4.673 HB2 :: 1.838 HB3 :: 1.205(S) HG2 :: 2.055 HG3 :: 1.898 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.538 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.39 D 0.02 C Shift Assignments>> C :: 176.014 CA :: 51.104 CB :: 35.864 CG :: 177.180 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.254 HA :: 4.870 HB2 :: 2.961 HB3 :: 2.679 HD21 :: 7.439 HD22 :: 7.414 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.983 ND2 :: 110.964 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 G 0.26 L 0.25 R 0.18 C Shift Assignments>> C :: 178.895 CA :: 56.517 CB :: 44.496 CG :: 27.932 CD1 :: 26.843 CD2 :: 24.968 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.974 HA :: 4.282 HB2 :: 2.050 HB3 :: 1.678 HG :: 1.714 HD11 :: 1.092 HD12 :: 1.092 HD13 :: 1.092 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.914 Ave N Shift Values>> N :: 121.98(4.07) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 Q 0.33 E 0.02 C Shift Assignments>> C :: 176.739 CA :: 58.619 CB :: 27.932 CG :: 32.101 CD :: 179.193 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.851 HA :: 3.728 HB2 :: 2.212 HB3 :: 1.893 HG2 :: 2.445 HG3 :: 2.316 HE21 :: 7.622 HE22 :: 7.049 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.843 NE2 :: 111.448 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 N 0.11 C 0.11 K 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.002 CA :: 54.289 CB :: 40.938 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.891 HA :: 4.703 HB2 :: 2.879 HB3 :: 2.287 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.710 Ave N Shift Values>> N :: 120.73(4.2) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.43 A 0.11 C Shift Assignments>> CA :: 56.345 CB :: 34.036 CG :: 32.757 CE :: 17.634 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.220 HA :: 4.241 HB2 :: 1.924 HB3 :: 1.808 HG2 :: 2.962 HG3 :: 2.431 HE1 :: 1.940 HE2 :: 1.940 HE3 :: 1.940 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.531 Ave N Shift Values>> N :: 120.1(3.88) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 HN Overlap>> 1.F97 1.F97 1.K146 1.K146 C Shift Assignments>> C :: 178.913 CA :: 52.030 CB :: 18.915 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.639 HA :: 4.299 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.596 Ave N Shift Values>> N :: 123.23(3.7) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.29 F 0.17 C Shift Assignments>> C :: 176.607 CA :: 63.356 CB :: 38.430 CD1 :: 133.244 CD2 :: 133.244 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.968 HA :: 3.821 HB2 :: 3.183 HB3 :: 2.786 HD1 :: 7.055 HD2 :: 7.055 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.597 Ave N Shift Values>> N :: 120.79(4.69) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.32 E 0.25 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.053 CA :: 59.914 CB :: 28.462 CG :: 36.538 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.220 HA :: 3.757 HB2 :: 2.048 HB3 :: 1.992 HG2 :: 2.351 HG3 :: 2.351 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.692 Ave N Shift Values>> N :: 120.68(3.68) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.3 R 0.21 Q 0.04 M 0.02 V 0.01 C Shift Assignments>> C :: 179.744 CA :: 58.691 CB :: 32.194 CG :: 25.706 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.973 HA :: 4.062 HB2 :: 1.962 HB3 :: 1.897 HG2 :: 1.656 HG3 :: 1.535 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.873 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K61 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.52 K 0.4 R 0.06 G 0.01 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 179.194 CA :: 60.754 CB :: 33.727 CD :: 29.453 CE :: 41.828 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.521 HA :: 3.728 HB2 :: 1.890 HB3 :: 1.161 HD2 :: 0.775(S) HD3 :: -0.955(A) HE2 :: 2.168(S) HE3 :: 1.487(A) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.105 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.35 A 0.02 C Shift Assignments>> C :: 179.507 CA :: 58.211 CB :: 40.590 CG :: 25.942 CD1 :: 25.409 CD2 :: 21.235 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.514 HA :: 3.859 HB2 :: 1.785 HB3 :: 1.252 HG :: 1.251 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.669 Ave N Shift Values>> N :: 121.98(4.07) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 G 0.01 M 0.01 HN Overlap>> 1.A78 1.A78 C Shift Assignments>> C :: 179.335 CA :: 60.046 CB :: 32.899 CG :: 25.409 CD :: 29.385 CE :: 42.135 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.729 HA :: 3.860 HB2 :: 1.877 HB3 :: 1.876 HG2 :: 1.579 HG3 :: 1.385 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.082 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> C :: 177.845 CA :: 67.235 CB :: 67.754 CG2 :: 21.750 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.274 HA :: 3.935 HB :: 4.232 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.523 Ave N Shift Values>> N :: 115.7(5.05) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 L 0.23 C Shift Assignments>> C :: 179.239 CA :: 59.735 CB :: 39.651 CG :: 26.315 CD1 :: 26.680 CD2 :: 22.693 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.511 HA :: 3.865 HB2 :: 2.075 HB3 :: 1.747 HG :: 2.197 HD11 :: 1.109 HD12 :: 1.109 HD13 :: 1.109 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.292 Ave N Shift Values>> N :: 121.98(4.07) 1.K66 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.35 R 0.23 M 0.01 G 0.01 HN Overlap>> 1.W152 1.W152 C Shift Assignments>> C :: 182.170(A) CA :: 60.307 CB :: 31.502 CG :: 25.676 CD :: 29.613 CE :: 42.016 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.348 HA :: 3.992 HB2 :: 1.958 HB3 :: 1.846 HG2 :: 1.579 HG3 :: 1.336 HD2 :: 1.589 HD3 :: 1.517 HE2 :: 2.751 HE3 :: 2.650 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.586 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.3 H 0.29 C Shift Assignments>> C :: 175.894 CA :: 59.354 CB :: 30.008 CD2 :: 119.788 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.641 HA :: 4.412 HB2 :: 3.308 HB3 :: 3.269 HD2 :: 6.990 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.771 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.51 N 0.26 C 0.22 C Shift Assignments>> C :: 171.794 CA :: 54.523 CB :: 40.782 CG :: 177.668 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.501 HA :: 4.591 HB2 :: 3.016 HB3 :: 2.541 HD21 :: 8.027 HD22 :: 7.623 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.257 ND2 :: 115.184 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.31 K 0.13 G 0.11 R 0.08 C Shift Assignments>> C :: 175.648 CA :: 57.086 CB :: 26.285 CG :: 27.601 CD :: 43.591 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.805 HA :: 4.360 HB2 :: 2.334 HB3 :: 2.187 HG2 :: 1.482 HG3 :: 1.477 HD2 :: 3.259 HD3 :: 3.069 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 111.370 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.E151 1.E151 C Shift Assignments>> C :: 175.149 CA :: 60.659 CB :: 40.387 CG1 :: 27.523 CG2 :: 18.585 CD1 :: 15.402 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.293 HA :: 4.970 HB :: 1.484 HG12 :: 1.928 HG13 :: 0.887 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.155 Ave N Shift Values>> N :: 121.6(4.72) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.556 CA :: 43.658 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.392 HA2 :: 4.940 HA3 :: 3.552 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.911 Ave N Shift Values>> N :: 109.91(4.29) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.29 C 0.2 C Shift Assignments>> C :: 175.904 CA :: 53.494 CB :: 45.896 CG :: 26.973 CD1 :: 25.777 CD2 :: 24.596 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.904 HA :: 5.286 HB2 :: 0.940 HB3 :: 0.834 HG :: 1.328 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 HD21 :: 0.951 HD22 :: 0.951 HD23 :: 0.951 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.340 Ave N Shift Values>> N :: 121.98(4.07) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.38 H 0.01 C Shift Assignments>> C :: 173.605 CA :: 54.060 CB :: 30.277 CD1 :: 125.390 CE3 :: 119.469 CZ2 :: 114.501 CZ3 :: 121.601 CH2 :: 125.044 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.427 HA :: 5.521 HB2 :: 3.299 HB3 :: 3.059 HD1 :: 7.624 HE1 :: 9.904 HE3 :: 7.210 HZ2 :: 7.252 HZ3 :: 6.735 HH2 :: 7.093 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.129 NE1 :: 130.281 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.17 C 0.11 R 0.06 D 0.02 C Shift Assignments>> C :: 175.083 CA :: 54.029 CB :: 45.127 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.607 HA :: 5.196 HB2 :: 2.874 HB3 :: 1.985 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.399 Ave N Shift Values>> N :: 120.73(4.2) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 175.207 CA :: 66.118 CB :: 32.805 CG1 :: 21.521 CG2 :: 22.503 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.064 HA :: 3.676 HB :: 1.325 HG11 :: 0.097 HG12 :: 0.097 HG13 :: 0.097 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.430 Ave N Shift Values>> N :: 121.02(4.96) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.798 CB :: 38.184 CD1 :: 130.784 CD2 :: 130.784 CE1 :: 130.918 CE2 :: 130.918 CZ :: 130.41 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.655 HB2 :: 2.916 HB3 :: 2.835 HD1 :: 6.840 HD2 :: 6.840 HE1 :: 6.970 HE2 :: 6.970 HZ :: 7.358 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.886 Ave N Shift Values>> N :: 120.69(4.18) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.16 M 0.04 G 0.01 HN Overlap>> 1.R125 1.R125 C Shift Assignments>> C :: 176.935 CA :: 56.913 CB :: 34.017 CG :: 24.505 CD :: 29.821 CE :: 42.149 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.755 HA :: 3.956 HB2 :: 1.571 HB3 :: 1.341 HG2 :: 1.301 HG3 :: 1.158 HD2 :: 1.598 HD3 :: 1.598 HE2 :: 2.944 HE3 :: 2.944 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.378 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 L 0.32 C 0.15 M 0.11 K 0.02 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> C :: 175.245 CA :: 51.223 CB :: 22.494 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.821 HA :: 5.113 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.092 Ave N Shift Values>> N :: 123.23(3.7) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 171.112 CA :: 45.285 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.373 HA2 :: 4.080 HA3 :: 3.652 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.478 Ave N Shift Values>> N :: 109.91(4.29) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.717 CA :: 56.386 CB :: 64.766 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.006 HA :: 4.873 HB2 :: 3.693 HB3 :: 3.629 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.275 Ave N Shift Values>> N :: 116.3(3.95) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 G 0.13 K 0.08 C Shift Assignments>> C :: 174.995 CA :: 56.349 CB :: 32.704 CG :: 27.019 CD :: 43.862 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.538 HA :: 4.494 HB2 :: 1.672 HB3 :: 1.553 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 3.147 HD3 :: 2.962 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.308 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.14 K 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 176.474 CA :: 55.998 CB :: 30.495 CG :: 36.022 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.604 HA :: 4.489 HB2 :: 2.052 HB3 :: 1.886 HG2 :: 2.258 HG3 :: 2.217 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.828 Ave N Shift Values>> N :: 120.68(3.68) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.329 CA :: 45.327 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.482 HA2 :: 4.104 HA3 :: 3.958 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.898 Ave N Shift Values>> N :: 109.91(4.29) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G114 1.G114 C Shift Assignments>> C :: 175.361 CA :: 58.613 CB :: 63.970 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466 HA :: 4.461 HB2 :: 4.026 HB3 :: 3.947 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.919 Ave N Shift Values>> N :: 116.3(3.95) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 C 0.39 E 0.2 C Shift Assignments>> C :: 175.971 CA :: 56.689 CB :: 28.947 CG :: 33.746 CD :: 180.445 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.479 HA :: 4.325 HB2 :: 2.207 HB3 :: 2.102 HG2 :: 2.443 HG3 :: 2.443 HE21 :: 7.612 HE22 :: 6.942 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.104 NE2 :: 112.735 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.17 K 0.12 C 0.12 F 0.11 Y 0.1 N 0.07 R 0.02 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> C :: 176.340 CA :: 55.125 CB :: 40.903 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.489 HA :: 4.620 HB2 :: 2.781 HB3 :: 2.729 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.347 Ave N Shift Values>> N :: 120.73(4.2) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.312 CA :: 59.235 CB :: 63.784 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.972 HA :: 4.351 HB2 :: 3.999 HB3 :: 3.949 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.281 Ave N Shift Values>> N :: 116.3(3.95) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 176.087 CA :: 56.300 CB :: 32.734 CG :: 24.741 CD :: 29.051 CE :: 42.200 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.055 HA :: 4.358 HB2 :: 1.874 HB3 :: 1.790 HG2 :: 1.443 HG3 :: 1.338 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.866 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.228 CA :: 60.905 CB :: 39.144 CG1 :: 28.292 CG2 :: 17.536 CD1 :: 13.981 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.059 HA :: 4.559 HB :: 1.584 HG12 :: 1.626 HG13 :: 0.881 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.376 Ave N Shift Values>> N :: 121.6(4.72) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.21 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 HN Overlap>> 1.S136 1.S136 C Shift Assignments>> C :: 173.060 CA :: 43.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.812 HA2 :: 4.475 HA3 :: 3.646 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.626 Ave N Shift Values>> N :: 109.91(4.29) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.17 K 0.12 C 0.12 F 0.11 Y 0.1 N 0.07 R 0.02 C Shift Assignments>> C :: 175.660 CA :: 55.100 CB :: 40.897 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.603 HA :: 4.200 HB2 :: 2.647 HB3 :: 2.490 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.136 Ave N Shift Values>> N :: 120.73(4.2) 1.E92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.15 Q 0.12 I 0.06 M 0.04 C Shift Assignments>> C :: 176.605 CA :: 57.909 CB :: 29.384 CG :: 35.477 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.012 HA :: 4.069 HB2 :: 1.424 HB3 :: 1.221(S) HG2 :: 1.925 HG3 :: 1.864 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.860 Ave N Shift Values>> N :: 120.68(3.68) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.32 E 0.2 Q 0.03 HN Overlap>> 1.R29 1.R29 C Shift Assignments>> C :: 175.678 CA :: 54.777 CB :: 32.583 CG :: 35.785 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.238 HA :: 4.638 HB2 :: 1.892 HB3 :: 1.788 HG2 :: 2.226 HG3 :: 2.068 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.580 Ave N Shift Values>> N :: 120.68(3.68) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.248 CA :: 61.462 CB :: 39.135 CG1 :: 28.120 CG2 :: 17.057 CD1 :: 13.645 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.874 HA :: 4.344 HB :: 1.778 HG12 :: 1.494 HG13 :: 1.201 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.001 Ave N Shift Values>> N :: 121.6(4.72) 1.N95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.51 C 0.26 D 0.22 C Shift Assignments>> C :: 172.365 CA :: 53.862 CB :: 39.341 CG :: 175.580 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.226 HA :: 4.091 HB2 :: 1.329(S) HB3 :: 1.018(S) HD21 :: 6.427 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.284 ND2 :: 116.544 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.24 L 0.13 C 0.11 F 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 176.470 CA :: 52.746 CB :: 40.640 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.203 HA :: 4.544 HB2 :: 2.875 HB3 :: 2.681 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.544 Ave N Shift Values>> N :: 120.73(4.2) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 HN Overlap>> 1.A57 1.K146 1.A57 1.K146 C Shift Assignments>> C :: 177.043 CA :: 58.977 CB :: 39.411 CD1 :: 131.386 CD2 :: 131.386 CE1 :: 131.124 CE2 :: 131.124 CZ :: 129.193 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.623 HA :: 4.673 HB2 :: 3.500 HB3 :: 2.703 HD1 :: 7.157 HD2 :: 7.157 HE1 :: 6.929 HE2 :: 6.929 HZ :: 7.068 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.618 Ave N Shift Values>> N :: 120.69(4.18) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S24 1.S24 C Shift Assignments>> C :: 176.095 CA :: 62.071 CB :: 63.066 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.804 HA :: 4.243 HB2 :: 4.130 HB3 :: 4.069 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.626 Ave N Shift Values>> N :: 116.3(3.95) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 175.860 CA :: 45.467 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.484 HA2 :: 4.468 HA3 :: 3.767 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.358 Ave N Shift Values>> N :: 109.91(4.29) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.07 G 0.01 C Shift Assignments>> C :: 177.951 CA :: 58.580 CB :: 41.846 CG :: 26.630 CD1 :: 25.852 CD2 :: 22.779 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.659 HA :: 3.967 HB2 :: 2.074 HB3 :: 1.466 HG :: 2.099 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.850 Ave N Shift Values>> N :: 121.98(4.07) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 178.054 CA :: 58.629 CB :: 31.690 CG :: 24.739 CD :: 29.040 CE :: 42.200 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.838 HA :: 4.294 HB2 :: 1.935 HB3 :: 1.828 HG2 :: 1.569 HG3 :: 1.524 HD2 :: 1.777 HD3 :: 1.777 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.983 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.09 M 0.08 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.731 CA :: 57.609 CB :: 30.425 CG :: 36.667 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.375 HA :: 4.230 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 2.269 HG3 :: 2.268 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.197 Ave N Shift Values>> N :: 120.68(3.68) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.38 I 0.07 A 0.01 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> C :: 176.581 CA :: 58.210 CB :: 35.436 CG :: 31.636 CE :: 16.393 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.872 HA :: 4.179 HB2 :: 1.969 HB3 :: 1.969 HG2 :: 2.572 HG3 :: 2.454 HE1 :: 1.847 HE2 :: 1.847 HE3 :: 1.847 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.487 Ave N Shift Values>> N :: 120.1(3.88) 1.V104 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.36 M 0.02 C Shift Assignments>> CA :: 57.458 CB :: 32.066 CG1 :: 27.163(A) CG2 :: 23.390 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.149 HA :: 4.876 HB :: 2.260 HG11 :: 1.032 HG12 :: 1.032 HG13 :: 1.032 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.459 Ave N Shift Values>> N :: 121.02(4.96) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 178.767 CA :: 64.826 CB :: 32.573 CG :: 27.498 CD :: 50.180 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.490 HB2 :: 2.467 HB3 :: 2.002 HG2 :: 2.057 HG3 :: 2.011 HD2 :: 3.643 HD3 :: 3.347 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.3 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 176.123 CA :: 54.703 CB :: 31.743 CG :: 25.195 CD :: 29.198 CE :: 42.303 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.323 HA :: 4.470 HB2 :: 2.062 HB3 :: 1.674 HG2 :: 1.526 HG3 :: 1.385 HD2 :: 1.761 HD3 :: 1.761 HE2 :: 3.062 HE3 :: 3.063 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.798 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 R 0.08 K 0.01 C Shift Assignments>> C :: 176.731 CA :: 57.565 CB :: 41.623 CG :: 26.692 CD1 :: 24.986 CD2 :: 26.343 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.537 HA :: 3.908 HB2 :: 2.016 HB3 :: 1.456 HG :: 1.133 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.358 HD22 :: 0.358 HD23 :: 0.358 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.793 Ave N Shift Values>> N :: 121.98(4.07) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.34 K 0.19 G 0.06 C Shift Assignments>> C :: 175.562 CA :: 56.103 CB :: 32.861 CG :: 27.215 CD :: 43.260 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.287 HA :: 4.895 HB2 :: 1.904 HB3 :: 1.902 HG2 :: 1.717 HG3 :: 1.717 HD2 :: 3.265 HD3 :: 3.212 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.864 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.31 L 0.11 A 0.09 R 0.01 C Shift Assignments>> C :: 173.372 CA :: 54.355 CB :: 46.064 CG :: 27.527 CD1 :: 22.569 CD2 :: 26.543 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.515 HA :: 4.936 HB2 :: 1.571 HB3 :: 1.306 HG :: 1.202 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 HD21 :: 0.559 HD22 :: 0.559 HD23 :: 0.559 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.448 Ave N Shift Values>> N :: 121.98(4.07) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 HN Overlap>> 1.I2 1.I2 C Shift Assignments>> C :: 175.129 CA :: 59.423 CB :: 38.987 CG1 :: 27.928 CG2 :: 17.692 CD1 :: 13.444 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.697 HA :: 4.706 HB :: 1.488 HG12 :: 1.145 HG13 :: 0.750 HG21 :: 0.015 HG22 :: 0.015 HG23 :: 0.015 HD11 :: 0.115 HD12 :: 0.115 HD13 :: 0.115 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.419 Ave N Shift Values>> N :: 121.6(4.72) 1.C111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 Q 0.13 W 0.12 E 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 173.340 CA :: 55.842 CB :: 30.182 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.939 HA :: 5.502 HB2 :: 2.456 HB3 :: 2.266 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.487 Ave N Shift Values>> N :: 119.95(4.79) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 174.158 CA :: 56.455 CB :: 40.066 CD1 :: 132.523 CD2 :: 132.523 CE1 :: 130.179 CE2 :: 130.179 CZ :: 130.965 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.055 HA :: 5.002 HB2 :: 2.965 HB3 :: 2.922 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 6.880 HE2 :: 6.880 HZ :: 6.925 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.618 Ave N Shift Values>> N :: 120.69(4.18) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.29 D 0.03 C Shift Assignments>> C :: 175.240 CA :: 51.534 CB :: 36.945 CG :: 175.551 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.590 HA :: 4.735 HB2 :: 3.468 HB3 :: 2.378 HD21 :: 7.106 HD22 :: 7.932 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.147 ND2 :: 106.219 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.S84 1.S84 C Shift Assignments>> C :: 173.413 CA :: 44.590 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.480 HA2 :: 4.737 HA3 :: 4.308 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.961 Ave N Shift Values>> N :: 109.91(4.29) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.09 G 0.07 HN Overlap>> 1.F144 1.F144 C Shift Assignments>> C :: 178.398 CA :: 58.937 CB :: 30.327 CG :: 27.439 CD :: 43.289 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.131 HA :: 3.818 HB2 :: 1.917 HB3 :: 1.917 HG2 :: 1.823 HG3 :: 1.720 HD2 :: 3.236 HD3 :: 3.236 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.608 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.31 R 0.22 L 0.02 G 0.01 HN Overlap>> 1.D86 1.D86 C Shift Assignments>> C :: 179.047 CA :: 58.895 CB :: 30.311 CG :: 24.599 CE :: 42.261 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.433 HA :: 4.352 HB2 :: 1.990 HB3 :: 1.989 HG2 :: 1.733 HG3 :: 1.483 HE2 :: 3.053 HE3 :: 3.051 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.272 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 178.819 CA :: 55.297 CB :: 17.446 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.944 HA :: 3.949 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.373 Ave N Shift Values>> N :: 123.23(3.7) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 174.911 CA :: 46.745 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.133 HA2 :: 3.517 HA3 :: 3.005 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.431 Ave N Shift Values>> N :: 109.91(4.29) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.22 K 0.07 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.285 CA :: 58.826 CB :: 28.898 CG :: 36.688 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.723 HA :: 3.903 HB2 :: 2.132 HB3 :: 1.762 HG2 :: 2.754 HG3 :: 2.165 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.998 Ave N Shift Values>> N :: 120.68(3.68) 1.Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 174.273 CA :: 58.469 CB :: 37.302 CD1 :: 133.054 CD2 :: 133.054 CE1 :: 118.583 CE2 :: 118.583 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.770 HA :: 4.295 HB2 :: 3.203 HB3 :: 2.747 HD1 :: 7.160 HD2 :: 7.160 HE1 :: 6.895 HE2 :: 6.895 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.519 Ave N Shift Values>> N :: 120.79(4.69) 1.E121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 I 0.37 E 0.07 K 0.04 P 0.03 Q 0.02 R 0.01 C Shift Assignments>> CA :: 61.032 CB :: 26.622 CG :: 35.547 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.115 HA :: 3.656 HB2 :: 1.950 HB3 :: 0.946(S) HG2 :: 2.062 HG3 :: 1.962 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 120.68(3.68) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 179.372 CA :: 66.213 CB :: 30.933 CG :: 28.112 CD :: 50.185 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.034 HB2 :: 2.274 HB3 :: 1.755 HG2 :: 1.995 HG3 :: 1.850 HD2 :: 3.579 HD3 :: 3.347 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.38 R 0.1 C Shift Assignments>> C :: 178.576 CA :: 57.655 CB :: 41.513 CG :: 27.572 CD1 :: 23.939 CD2 :: 25.432 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.184 HA :: 4.158 HB2 :: 2.089 HB3 :: 1.866 HG :: 1.672 HD11 :: 1.144 HD12 :: 1.144 HD13 :: 1.144 HD21 :: 1.156 HD22 :: 1.156 HD23 :: 1.156 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.247 Ave N Shift Values>> N :: 121.98(4.07) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.27 A 0.06 V 0.02 C Shift Assignments>> C :: 179.854 CA :: 55.329 CB :: 40.297 CG :: 29.029 CD1 :: 22.836 CD2 :: 22.794 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.989 HA :: 4.369 HB2 :: 1.870 HB3 :: 1.606 HG :: 1.520 HD11 :: 0.423 HD12 :: 0.423 HD13 :: 0.423 HD21 :: 0.472 HD22 :: 0.472 HD23 :: 0.472 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.072 Ave N Shift Values>> N :: 121.98(4.07) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.06 L 0.01 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 181.434 CA :: 59.001 CB :: 30.032 CG :: 26.618 CD :: 43.238 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.764 HA :: 4.547 HB2 :: 1.958 HB3 :: 1.750 HG2 :: 1.768 HG3 :: 1.647 HD2 :: 3.235 HD3 :: 3.235 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.489 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 175.017 CA :: 46.505 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.117 HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.684 Ave N Shift Values>> N :: 109.91(4.29) 1.M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.44 A 0.1 C Shift Assignments>> C :: 175.696 CA :: 56.414 CB :: 33.729 CG :: 33.025 CE :: 17.532 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.323 HA :: 4.415 HB2 :: 2.444 HB3 :: 2.324 HG2 :: 2.945 HG3 :: 2.690 HE1 :: 2.301 HE2 :: 2.301 HE3 :: 2.301 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.569 Ave N Shift Values>> N :: 120.1(3.88) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 HN Overlap>> 1.G5 1.G5 C Shift Assignments>> C :: 173.882 CA :: 45.100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.938 HA2 :: 4.104 HA3 :: 3.621 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.651 Ave N Shift Values>> N :: 109.91(4.29) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.367 CA :: 58.074 CB :: 39.647 CD1 :: 132.646 CD2 :: 132.646 CE1 :: 118.132 CE2 :: 118.132 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.864 HA :: 4.594 HB2 :: 2.952 HB3 :: 2.185 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 6.720 HE2 :: 6.720 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.867 Ave N Shift Values>> N :: 120.79(4.69) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.07 M 0.07 I 0.06 Q 0.03 HN Overlap>> 1.A140 1.A140 C Shift Assignments>> C :: 176.247 CA :: 56.738 CB :: 29.946 CG :: 36.554 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.225 HA :: 4.414 HB2 :: 2.114 HB3 :: 2.116 HG2 :: 2.454 HG3 :: 2.323 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.753 Ave N Shift Values>> N :: 120.68(3.68) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.48 C Shift Assignments>> C :: 175.136 CA :: 59.429 CB :: 72.907 CG2 :: 22.082 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.008 HA :: 5.867 HB :: 4.344 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.418 Ave N Shift Values>> N :: 115.7(5.05) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.31 R 0.18 G 0.01 C Shift Assignments>> C :: 174.829 CA :: 55.354 CB :: 36.391 CG :: 25.012 CD :: 28.481 CE :: 42.075 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.433 HA :: 4.613 HB2 :: 1.711 HB3 :: 1.711 HG2 :: 1.240 HG3 :: 1.076 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.910 HE3 :: 2.841 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.381 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 174.915 CA :: 63.210 CB :: 31.600 CG1 :: 21.231 CG2 :: 21.429 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.302 HA :: 4.399 HB :: 2.055 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.501 Ave N Shift Values>> N :: 121.02(4.96) 1.L134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.69 C 0.18 A 0.09 G 0.02 C Shift Assignments>> CA :: 51.405 CB :: 41.844 CG :: 26.270 CD1 :: 23.139 CD2 :: 23.085 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.204 HA :: 4.665 HB2 :: 1.322 HB3 :: 0.662 HG :: 0.964 HD11 :: -0.626(S) HD12 :: -0.626(S) HD13 :: -0.626(S) HD21 :: 0.216 HD22 :: 0.216 HD23 :: 0.216 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.701 Ave N Shift Values>> N :: 121.98(4.07) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 176.943 CA :: 62.236 CB :: 32.170 CG :: 28.846 CD :: 50.285 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.654 HB2 :: 2.689 HB3 :: 1.806 HG2 :: 2.334 HG3 :: 2.175 HD2 :: 4.087 HD3 :: 3.468 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G90 1.G90 C Shift Assignments>> C :: 177.577 CA :: 58.449 CB :: 64.189 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.802 HA :: 4.666 HB2 :: 4.494 HB3 :: 3.889 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.633 Ave N Shift Values>> N :: 116.3(3.95) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.323 CA :: 60.089 CB :: 62.838 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.795 HA :: 3.745 HB2 :: 3.634 HB3 :: 3.509 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.935 Ave N Shift Values>> N :: 116.3(3.95) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.612 CA :: 59.030 CB :: 63.773 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.498 HA :: 4.301 HB2 :: 4.197 HB3 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.387 Ave N Shift Values>> N :: 116.3(3.95) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 175.522 CA :: 46.768 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.026 HA2 :: 4.203 HA3 :: 3.979 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.288 Ave N Shift Values>> N :: 109.91(4.29) 1.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.02 HN Overlap>> 1.E130 1.E130 C Shift Assignments>> C :: 178.064 CA :: 53.022 CB :: 18.690 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.206 HA :: 4.363 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.850 Ave N Shift Values>> N :: 123.23(3.7) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.3 C 0.15 C Shift Assignments>> C :: 175.763 CA :: 52.398 CB :: 39.218 CG :: 177.179 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.965 HA :: 5.117 HB2 :: 3.053 HB3 :: 2.678 HD21 :: 8.082 HD22 :: 6.986 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.026 ND2 :: 111.856 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 C 0.13 E 0.13 H 0.11 M 0.09 K 0.09 Q 0.08 V 0.03 I 0.02 C Shift Assignments>> C :: 177.438 CA :: 57.760 CB :: 31.072 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.758 HA :: 4.118 HB2 :: 1.981 HB3 :: 1.755 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.212 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.09 G 0.07 L 0.01 HN Overlap>> 1.H47 1.H47 C Shift Assignments>> CA :: 58.089 CB :: 30.038 CG :: 26.797 CD :: 43.398 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.131 HA :: 4.038 HB2 :: 1.644 HB3 :: 1.488 HG2 :: 1.227 HG3 :: 1.104 HD2 :: 3.052 HD3 :: 3.052 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.395 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 HN Overlap>> 1.R115 1.R115 C Shift Assignments>> C :: 176.493 CA :: 56.893 CB :: 38.594 CD1 :: 132.050 CD2 :: 132.050 CE1 :: 131.746 CE2 :: 131.746 CZ :: 129.697 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.094 HA :: 4.893 HB2 :: 3.407 HB3 :: 3.031 HD1 :: 7.342 HD2 :: 7.342 HE1 :: 7.397 HE2 :: 7.397 HZ :: 7.323 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.687 Ave N Shift Values>> N :: 120.69(4.18) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.289 CA :: 60.142 CB :: 63.313 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.573 HA :: 4.314 HB2 :: 3.969 HB3 :: 3.935 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.156 Ave N Shift Values>> N :: 116.3(3.95) 1.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.47 M 0.02 HN Overlap>> 1.F97 1.A57 1.F97 1.A57 C Shift Assignments>> C :: 178.042 CA :: 58.625 CB :: 31.870 CG :: 24.746 CD :: 28.860 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.660 HA :: 4.249 HB2 :: 1.910 HB3 :: 1.908 HG2 :: 1.514 HG3 :: 1.514 HD2 :: 1.719 HD3 :: 1.719 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.606 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.33 D 0.23 HN Overlap>> 1.E149 1.E149 C Shift Assignments>> C :: 176.619 CA :: 55.207 CB :: 38.433 CG :: 176.941 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.471 HA :: 4.710 HB2 :: 3.002 HB3 :: 2.889 HD21 :: 7.778 HD22 :: 7.097 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.901 ND2 :: 112.977 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.27 R 0.26 I 0.04 K 0.01 C Shift Assignments>> C :: 177.706 CA :: 61.218 CB :: 30.380 CD :: 43.893 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.213 HA :: 4.033 HB2 :: 2.123 HB3 :: 2.079 HD2 :: 3.170 HD3 :: 3.126 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.084 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.32 E 0.23 K 0.01 M 0.01 HN Overlap>> 1.N147 1.N147 C Shift Assignments>> C :: 178.559 CA :: 60.666 CB :: 29.717 CG :: 37.203 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.534 HA :: 3.858 HB2 :: 2.082 HB3 :: 2.082 HG2 :: 2.169 HG3 :: 2.093 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.898 Ave N Shift Values>> N :: 120.68(3.68) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.402 CA :: 61.790 CB :: 62.894 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.155 HA :: 4.351 HB2 :: 4.069 HB3 :: 4.069 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.191 Ave N Shift Values>> N :: 116.3(3.95) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.03 M 0.02 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> C :: 179.349 CA :: 59.859 CB :: 29.774 CG :: 36.825 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.216 HA :: 4.179 HB2 :: 2.200 HB3 :: 2.102 HG2 :: 2.459 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.132 Ave N Shift Values>> N :: 120.68(3.68) 1.W152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.34 HN Overlap>> 1.K66 1.K66 C Shift Assignments>> C :: 177.912 CA :: 62.240 CB :: 28.069 CD1 :: 125.864 CE3 :: 119.257 CZ2 :: 115.544 CZ3 :: 121.625 CH2 :: 123.166 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.249 HA :: 4.044 HB2 :: 3.225 HB3 :: 3.078 HD1 :: 7.824 HE1 :: 10.709 HE3 :: 7.120 HZ2 :: 7.628 HZ3 :: 6.500 HH2 :: 6.930 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.567 NE1 :: 129.724 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.31 E 0.29 K 0.02 M 0.01 C Shift Assignments>> C :: 178.800 CA :: 60.136 CB :: 30.011 CG :: 37.099 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.727 HA :: 4.077 HB2 :: 2.359 HB3 :: 2.248 HG2 :: 2.541 HG3 :: 2.541 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.120 Ave N Shift Values>> N :: 120.68(3.68) 1.A154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 180.014 CA :: 54.871 CB :: 18.549 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.767 HA :: 4.042 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 123.23(3.7) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.164 CA :: 64.692 CB :: 31.871 CG1 :: 21.383 CG2 :: 22.032 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.967 HA :: 3.604 HB :: 1.617 HG11 :: 0.144 HG12 :: 0.144 HG13 :: 0.144 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.173 Ave N Shift Values>> N :: 121.02(4.96) 1.F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 176.169 CA :: 59.276 CB :: 39.913 CD1 :: 132.475 CD2 :: 132.475 CE1 :: 130.686 CE2 :: 130.686 CZ :: 128.913 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.994 HA :: 4.412 HB2 :: 3.320 HB3 :: 2.644 HD1 :: 7.396 HD2 :: 7.396 HE1 :: 7.108 HE2 :: 7.108 HZ :: 6.943 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.093 Ave N Shift Values>> N :: 120.69(4.18) 1.R157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.1 K 0.06 HN Overlap>> 1.T14 1.T14 C Shift Assignments>> C :: 176.707 CA :: 57.561 CB :: 30.458 CG :: 27.121 CD :: 43.616 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.860 HA :: 4.324 HB2 :: 1.859 HB3 :: 1.859 HG2 :: 1.663 HG3 :: 1.663 HD2 :: 3.206 HD3 :: 3.206 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.582 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.36 C 0.27 C Shift Assignments>> C :: 175.456 CA :: 56.787 CB :: 29.240 CD2 :: 120.081 CE1 :: 137.614 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.343 HA :: 4.580 HB2 :: 3.153 HB3 :: 3.153 HD2 :: 7.102 HE1 :: 8.100 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.08 A 0.02 G 0.01 C Shift Assignments>> C :: 177.303 CA :: 55.429 CB :: 42.069 CG :: 26.944 CD1 :: 25.620 CD2 :: 23.208 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.815 HA :: 4.204 HB2 :: 1.683 HB3 :: 1.577 HG :: 1.390 HD11 :: 1.018 HD12 :: 1.018 HD13 :: 1.018 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.909 Ave N Shift Values>> N :: 121.98(4.07) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.11 I 0.06 Q 0.06 M 0.06 C Shift Assignments>> C :: 176.580 CA :: 57.241 CB :: 29.713 CG :: 36.058 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.260 HA :: 4.119 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 2.238 HG3 :: 2.155 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.808 Ave N Shift Values>> N :: 120.68(3.68) 1.H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.13 R 0.13 E 0.12 W 0.12 C 0.11 K 0.1 M 0.06 I 0.01 C Shift Assignments>> CA :: 56.094 CB :: 29.939 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.293 HA :: 4.571 HB2 :: 3.069 HB3 :: 3.069 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.525 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 152 #Clerical: 0 #Suspicious: 9 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 164 #Suspicious: 2 C Shift Results: #Consistent: 707 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 5 H Shift Results: #Consistent:1095 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 2 N Shift Results: #Consistent: 170 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A8 HB1 = 0.094(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6895e-07 1.A8 HB2 = 0.094(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6895e-07 1.A8 HB3 = 0.094(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6895e-07 1.Q31 CD = 181.404(A), Expected = 179.68, Std = 1.1700, ChiSquare = 1.4061e-01 1.Q32 HB3 = 0.970(S), Expected = 2.04, Std = 0.2900, ChiSquare = 2.2456e-04 1.Q32 HG3 = 0.522(S), Expected = 2.32, Std = 0.2900, ChiSquare = 5.6463e-10 1.F41 HB3 = 1.376(S), Expected = 2.97, Std = 0.3800, ChiSquare = 2.7319e-05 1.W42 C = 181.439(A), Expected = 176.10, Std = 1.8900, ChiSquare = 4.7300e-03 1.W42 CD1 = 129.815(A), Expected = 126.16, Std = 1.7600, ChiSquare = 3.7829e-02 1.L44 HD11 = -0.722(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2775e-08 1.L44 HD12 = -0.722(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2775e-08 1.L44 HD13 = -0.722(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2775e-08 1.E51 HB3 = 1.205(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.8294e-04 1.E51 SRO Rule Break>> CG > CB : 0.99165623696287 1.K61 HD2 = 0.775(S), Expected = 1.61, Std = 0.2500, ChiSquare = 8.3778e-04 1.K61 HD3 = -0.955(A), Expected = 1.61, Std = 0.2500, ChiSquare = 1.0671e-24 1.K61 HE2 = 2.168(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.3897e-04 1.K61 HE3 = 1.487(A), Expected = 2.93, Std = 0.2000, ChiSquare = 5.3934e-13 1.K61 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K66 C = 182.170(A), Expected = 176.46, Std = 2.0500, ChiSquare = 5.3467e-03 1.E92 HB3 = 1.221(S), Expected = 2.04, Std = 0.2300, ChiSquare = 3.6963e-04 1.N95 HB2 = 1.329(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.5152e-05 1.N95 HB3 = 1.018(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.1910e-07 1.V104 CG1 = 27.163(A), Expected = 21.38, Std = 1.5300, ChiSquare = 1.5699e-04 1.E121 HB3 = 0.946(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.9696e-06 1.L134 HD11 = -0.626(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3363e-07 1.L134 HD12 = -0.626(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3363e-07 1.L134 HD13 = -0.626(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3363e-07