Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.84 M 0.12 C 0.02 C Shift Assignments>> CA :: 51.319 CB :: 19.271 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.595 HB1 :: 1.003 HB2 :: 1.003 HB3 :: 1.003 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.21 C 0.16 C Shift Assignments>> C :: 173.519 CA :: 52.277 CB :: 38.599 CG :: 176.830 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>> HA :: 4.381 HB2 :: 2.459 HB3 :: 2.290 HD21 :: 6.698 HD22 :: 7.403 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>> ND2 :: 112.943 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 175.083 CA :: 56.102 CB :: 39.961 CD1 :: 131.048 CD2 :: 131.048 CE1 :: 130.751 CE2 :: 130.751 CZ :: 129.603 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 :: 7.505 HA :: 4.552 HB2 :: 2.614 HB3 :: 2.005 HD1 :: 6.337 HD2 :: 6.337 HE1 :: 7.013 HE2 :: 7.013 HZ :: 7.118 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 :: 120.005 Ave N Shift Values>> N :: 120.69(4.18) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.29 E 0.15 Q 0.01 C Shift Assignments>> C :: 175.210 CA :: 54.626 CB :: 33.262 CG :: 35.973 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 :: 9.070 HA :: 4.730 HB2 :: 1.981 HB3 :: 1.920 HG2 :: 2.193 HG3 :: 2.163 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 :: 123.377 Ave N Shift Values>> N :: 120.68(3.68) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.446 CA :: 63.316 CB :: 30.887 CG1 :: 22.600 CG2 :: 20.128 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 :: 8.403 HA :: 2.707 HB :: 1.859 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 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 :: 126.438 Ave N Shift Values>> N :: 121.02(4.96) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 172.667 CA :: 45.061 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.549 HA2 :: 4.238 HA3 :: 3.529 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.220 Ave N Shift Values>> N :: 109.91(4.29) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.26 D 0.06 C Shift Assignments>> C :: 176.117 CA :: 52.394 CB :: 37.178 CG :: 176.123 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 :: 7.943 HA :: 4.832 HB2 :: 3.311 HB3 :: 2.650 HD21 :: 6.621 HD22 :: 7.363 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 :: 118.263 ND2 :: 108.402 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Q 0.29 E 0.13 C Shift Assignments>> C :: 174.432 CA :: 59.046 CB :: 27.200 CG :: 33.545 CD :: 181.069 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 :: 8.911 HA :: 4.695 HB2 :: 2.124 HB3 :: 1.966 HG2 :: 2.504 HG3 :: 2.792 HE21 :: 7.215 HE22 :: 8.095 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 :: 115.787 NE2 :: 112.537 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 172.323 CA :: 54.966 CB :: 41.279 CD1 :: 132.641 CD2 :: 132.641 CE1 :: 117.427 CE2 :: 117.427 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 :: 7.378 HA :: 5.549 HB2 :: 2.818 HB3 :: 2.741 HD1 :: 6.675 HD2 :: 6.675 HE1 :: 6.370 HE2 :: 6.370 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 :: 111.486 Ave N Shift Values>> N :: 120.79(4.69) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 172.885 CA :: 60.646 CB :: 72.281 CG2 :: 22.045 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 :: 9.215 HA :: 4.482 HB :: 3.954 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 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 :: 115.273 Ave N Shift Values>> N :: 115.7(5.05) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.116 CA :: 62.223 CB :: 32.665 CG1 :: 21.997 CG2 :: 21.509 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 :: 8.747 HA :: 4.497 HB :: 2.061 HG11 :: 1.251 HG12 :: 1.251 HG13 :: 1.251 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 124.812 Ave N Shift Values>> N :: 121.02(4.96) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.350 CA :: 60.146 CB :: 39.141 CG1 :: 27.093 CG2 :: 18.701 CD1 :: 14.801 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 :: 9.201 HA :: 3.996 HB :: 1.683 HG12 :: 1.560 HG13 :: 0.891 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.664 HD12 :: 0.664 HD13 :: 0.664 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 :: 131.384 Ave N Shift Values>> N :: 121.6(4.72) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.18 D 0.15 Y 0.09 F 0.07 L 0.03 E 0.02 C Shift Assignments>> C :: 172.592 CA :: 53.570 CB :: 38.489 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 :: 8.718 HA :: 4.621 HB2 :: 2.740 HB3 :: 2.386 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 :: 128.937 Ave N Shift Values>> N :: 120.73(4.2) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 172.821 CA :: 59.341 CB :: 41.469 CG1 :: 27.585 CG2 :: 16.742 CD1 :: 13.876 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 :: 8.058 HA :: 4.177 HB :: 1.482 HG12 :: 1.370 HG13 :: 1.148 HG21 :: 0.604 HG22 :: 0.604 HG23 :: 0.604 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 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 :: 123.390 Ave N Shift Values>> N :: 121.6(4.72) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.1 M 0.06 I 0.06 Q 0.05 C Shift Assignments>> C :: 175.764 CA :: 56.919 CB :: 29.784 CG :: 36.229 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 :: 7.872 HA :: 4.036 HB2 :: 1.861 HB3 :: 1.770 HG2 :: 2.282 HG3 :: 2.249 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 :: 122.927 Ave N Shift Values>> N :: 120.68(3.68) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.16 M 0.05 C Shift Assignments>> C :: 176.818 CA :: 55.949 CB :: 33.462 CG :: 24.652 CD :: 29.916 CE :: 41.906 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 :: 8.229 HA :: 4.269 HB2 :: 1.823 HB3 :: 1.675 HG2 :: 1.751 HG3 :: 1.497 HD2 :: 1.887 HD3 :: 1.754 HE2 :: 2.978 HE3 :: 2.930 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 :: 121.295 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.386 CA :: 58.252 CB :: 63.922 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.506 HA :: 4.195 HB2 :: 3.898 HB3 :: 3.469 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 :: 117.915 Ave N Shift Values>> N :: 116.3(3.95) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.743 CA :: 63.582 CB :: 68.714 CG2 :: 21.966 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 :: 8.617 HA :: 4.062 HB :: 4.262 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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 :: 115.263 Ave N Shift Values>> N :: 115.7(5.05) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.19 A 0.02 C Shift Assignments>> C :: 172.199 CA :: 58.408 CB :: 69.832 CG2 :: 21.042 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 :: 7.355 HA :: 4.714 HB :: 4.078 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 113.732 Ave N Shift Values>> N :: 115.7(5.05) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.640 CA :: 61.834 CB :: 31.356 CG :: 27.444 CD :: 51.091 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 :: 5.138 HB2 :: 2.294 HB3 :: 1.830 HG2 :: 2.083 HG3 :: 1.867 HD2 :: 3.762 HD3 :: 3.679 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.Q21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 Q 0.01 C Shift Assignments>> C :: 174.174 CA :: 54.168 CB :: 28.935 CG :: 29.909(S) CD :: 180.422 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 :: 9.167 HA :: 5.335 HB2 :: 2.155 HB3 :: 1.790 HG2 :: 2.497 HG3 :: 2.181 HE21 :: 6.590 HE22 :: 6.826 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 :: 119.955 NE2 :: 108.547 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> C :: 173.734 CA :: 60.515 CB :: 34.521 CG1 :: 22.526 CG2 :: 20.651 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 :: 8.433 HA :: 4.475 HB :: 1.850 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 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 :: 118.752 Ave N Shift Values>> N :: 121.02(4.96) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 172.296 CA :: 60.200 CB :: 70.904 CG2 :: 20.520 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 :: 8.696 HA :: 5.135 HB :: 3.576 HG21 :: 0.240 HG22 :: 0.240 HG23 :: 0.240 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 :: 120.203 Ave N Shift Values>> N :: 115.7(5.05) 1.E24 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.36 M 0.29 K 0.17 Q 0.08 R 0.07 P 0.01 C Shift Assignments>> C :: 174.230 CA :: 52.381 CB :: 30.257 CG :: 31.828 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 :: 8.519 HA :: 4.534 HB2 :: 1.353 HB3 :: 1.353 HG2 :: 1.512(S) HG3 :: 0.945(A) 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 :: 125.322 Ave N Shift Values>> N :: 120.68(3.68) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.319 CA :: 57.121 CB :: 39.100 CD1 :: 132.462 CD2 :: 132.462 CE1 :: 116.946 CE2 :: 116.946 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 :: 9.348 HA :: 5.235 HB2 :: 2.610 HB3 :: 2.392 HD1 :: 6.591 HD2 :: 6.591 HE1 :: 6.165 HE2 :: 6.165 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 :: 130.071 Ave N Shift Values>> N :: 120.79(4.69) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 G 0.29 C 0.25 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> C :: 169.930 CA :: 54.106 CB :: 43.753 CD1 :: 130.834 CD2 :: 130.834 CE1 :: 130.680 CE2 :: 130.680 CZ :: 129.568 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 :: 8.332 HA :: 5.126 HB2 :: 2.632 HB3 :: 2.677 HD1 :: 6.679 HD2 :: 6.679 HE1 :: 5.643 HE2 :: 5.643 HZ :: 5.902 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 :: 122.304 Ave N Shift Values>> N :: 120.69(4.18) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.054 CA :: 54.763 CB :: 65.546 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.998 HA :: 4.751 HB2 :: 3.366 HB3 :: 3.248 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 :: 113.321 Ave N Shift Values>> N :: 116.3(3.95) 1.F28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.65 C 0.33 Y 0.01 C Shift Assignments>> C :: 176.836 CA :: 61.787 CB :: 38.671 CD1 :: 132.104 CD2 :: 132.104 CE1 :: 130.590 CE2 :: 130.590 CZ :: 127.242 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 :: 11.077(S) HA :: 4.193 HB2 :: 2.248 HB3 :: 2.105 HD1 :: 5.779 HD2 :: 5.779 HE1 :: 6.918 HE2 :: 6.918 HZ :: 7.030 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 :: 130.251 Ave N Shift Values>> N :: 120.69(4.18) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.364 CA :: 60.608 CB :: 38.850 CD1 :: 131.368 CD2 :: 131.368 CE1 :: 118.436 CE2 :: 118.436 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 :: 8.650 HA :: 4.092 HB2 :: 3.178 HB3 :: 2.468 HD1 :: 6.925 HD2 :: 6.925 HE1 :: 6.595 HE2 :: 6.595 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 :: 114.345 Ave N Shift Values>> N :: 120.79(4.69) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 C 0.16 R 0.15 H 0.14 K 0.13 E 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 175.235 CA :: 55.866 CB :: 31.539 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.511 HA :: 5.077 HB2 :: 3.204 HB3 :: 2.807 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 :: 126.261 Ave N Shift Values>> N :: 119.95(4.79) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> C :: 179.407 CA :: 64.146 CB :: 31.890 CG :: 26.466 CD :: 51.486 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 :: 3.828 HB2 :: 2.378 HB3 :: 1.859 HG2 :: 2.161 HG3 :: 1.728 HD2 :: 4.335 HD3 :: 4.139 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.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 C 0.46 C Shift Assignments>> C :: 179.002 CA :: 58.802 CB :: 30.229 CD2 :: 119.525 CE1 :: 136.737 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 :: 9.575 HA :: 4.514 HB2 :: 3.358 HB3 :: 3.134 HD1 :: 11.731 HD2 :: 7.167 HE1 :: 7.165 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 :: 128.612 ND1 :: 164.308 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 P 0.25 V 0.12 C 0.07 C Shift Assignments>> C :: 177.533 CA :: 65.128 CB :: 28.839 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.320 HA :: 3.985 HB2 :: 4.176 HB3 :: 2.787 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 :: 127.684 Ave N Shift Values>> N :: 119.95(4.79) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> C :: 177.664 CA :: 57.940 CB :: 37.675 CD1 :: 131.059 CD2 :: 131.059 CE1 :: 131.087 CE2 :: 131.087 CZ :: 129.348 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 :: 7.818 HA :: 3.205 HB2 :: 2.599 HB3 :: 2.501 HD1 :: 6.646 HD2 :: 6.646 HE1 :: 7.202 HE2 :: 7.202 HZ :: 7.050 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 :: 119.820 Ave N Shift Values>> N :: 120.69(4.18) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 176.877 CA :: 58.211 CB :: 31.775 CG :: 24.621 CD :: 29.002 CE :: 41.825 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 :: 7.636 HA :: 3.513 HB2 :: 1.849 HB3 :: 1.797 HG2 :: 1.323 HG3 :: 1.200 HD2 :: 1.568 HD3 :: 1.498 HE2 :: 2.781 HE3 :: 2.846 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 :: 120.586 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 176.263 CA :: 59.089 CB :: 39.690 CD1 :: 130.706 CD2 :: 130.706 CE1 :: 130.854 CE2 :: 130.854 CZ :: 129.876 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 :: 7.817 HA :: 4.177 HB2 :: 3.212 HB3 :: 3.088 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 7.196 HE2 :: 7.196 HZ :: 7.157 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 :: 115.534 Ave N Shift Values>> N :: 120.69(4.18) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.34 E 0.11 K 0.01 C Shift Assignments>> C :: 175.386 CA :: 60.133 CB :: 27.745 CG :: 37.761 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 :: 7.381 HA :: 4.287 HB2 :: 1.952 HB3 :: 1.719 HG2 :: 2.012 HG3 :: 1.991 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 :: 123.231 Ave N Shift Values>> N :: 120.68(3.68) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> C :: 179.609 CA :: 65.631 CB :: 30.763 CG :: 28.072 CD :: 49.483 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 :: 4.165 HB2 :: 2.169 HB3 :: 1.625 HG2 :: 1.811 HG3 :: 1.721 HD2 :: 3.542 HD3 :: 3.285 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.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.241 CA :: 64.958 CB :: 31.016 CG1 :: 21.467 CG2 :: 20.782 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 :: 6.708 HA :: 3.542 HB :: 1.959 HG11 :: 0.629 HG12 :: 0.629 HG13 :: 0.629 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 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 :: 119.378 Ave N Shift Values>> N :: 121.02(4.96) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.26 I 0.05 C 0.02 HN Overlap>> 1.K142 1.K142 C Shift Assignments>> C :: 179.694 CA :: 55.410 CB :: 17.319 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.203 HA :: 3.709 HB1 :: 1.325 HB2 :: 1.325 HB3 :: 1.325 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.007 Ave N Shift Values>> N :: 123.23(3.7) 1.H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.56 C 0.43 C Shift Assignments>> C :: 176.295 CA :: 58.036 CB :: 28.168 CD2 :: 119.395 CE1 :: 136.171 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 :: 8.004 HA :: 4.164 HB2 :: 3.060 HB3 :: 2.982 HD2 :: 7.085 HE1 :: 8.273 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 :: 115.118 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 179.732 CA :: 54.889 CB :: 17.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.571 HA :: 3.958 HB1 :: 1.272 HB2 :: 1.272 HB3 :: 1.272 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.402 Ave N Shift Values>> N :: 123.23(3.7) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.T157 1.T157 C Shift Assignments>> C :: 178.690 CA :: 63.941 CB :: 37.719 CG1 :: 27.733 CG2 :: 16.687 CD1 :: 13.601 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 :: 8.317 HA :: 3.657 HB :: 1.737 HG12 :: 1.655 HG13 :: 0.710 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 HD11 :: 0.313 HD12 :: 0.313 HD13 :: 0.313 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 :: 117.023 Ave N Shift Values>> N :: 121.6(4.72) 1.E44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.2 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.088 CA :: 59.441 CB :: 28.640 CG :: 35.905 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 :: 7.174 HA :: 3.546 HB2 :: 1.800 HB3 :: 1.120(S) HG2 :: 2.107 HG3 :: 2.059 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 :: 117.401 Ave N Shift Values>> N :: 120.68(3.68) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 I 0.11 K 0.1 Q 0.06 M 0.04 C Shift Assignments>> C :: 177.109 CA :: 58.448 CB :: 29.643 CG :: 35.995 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 :: 7.986 HA :: 3.844 HB2 :: 1.889 HB3 :: 1.838 HG2 :: 2.121 HG3 :: 2.121 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 :: 117.824 Ave N Shift Values>> N :: 120.68(3.68) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.3 C 0.15 C Shift Assignments>> C :: 174.617 CA :: 52.198 CB :: 39.002 CG :: 177.433 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 :: 7.215 HA :: 4.782 HB2 :: 2.792 HB3 :: 2.524 HD21 :: 6.578 HD22 :: 7.970 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 :: 114.931 ND2 :: 114.090 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 A 0.02 R 0.01 C Shift Assignments>> C :: 174.983 CA :: 53.476 CB :: 41.042 CG :: 25.275 CD1 :: 26.517 CD2 :: 23.951 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 :: 7.049 HA :: 4.115 HB2 :: 1.735 HB3 :: 1.247 HG :: 2.343 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 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 :: 120.992 Ave N Shift Values>> N :: 121.98(4.07) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.908 CA :: 61.949 CB :: 32.027 CG :: 27.094 CD :: 49.759 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 :: 4.381 HB2 :: 2.224 HB3 :: 1.780 HG2 :: 1.955 HG3 :: 1.799 HD2 :: 3.798 HD3 :: 3.060 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.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 C Shift Assignments>> C :: 178.795 CA :: 53.489 CB :: 17.832 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.243 HA :: 4.035 HB1 :: 1.287 HB2 :: 1.287 HB3 :: 1.287 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.716 Ave N Shift Values>> N :: 123.23(3.7) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.289 CA :: 44.836 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.612 HA2 :: 3.527 HA3 :: 4.231 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.221 Ave N Shift Values>> N :: 109.91(4.29) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.09 C 0.05 L 0.03 HN Overlap>> 1.A135 1.A135 C Shift Assignments>> C :: 176.271 CA :: 50.538 CB :: 20.835 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.659 HA :: 4.820 HB1 :: 1.238 HB2 :: 1.238 HB3 :: 1.238 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.121 Ave N Shift Values>> N :: 123.23(3.7) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.29 I 0.01 C Shift Assignments>> C :: 172.701 CA :: 59.691 CB :: 35.253 CG1 :: 21.075 CG2 :: 19.003 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 :: 7.227 HA :: 4.564 HB :: 2.026 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 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 :: 113.403 Ave N Shift Values>> N :: 121.02(4.96) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 C Shift Assignments>> C :: 174.364 CA :: 56.071 CB :: 41.828 CD1 :: 131.159 CD2 :: 131.159 CE1 :: 130.112 CE2 :: 130.112 CZ :: 129.028 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 :: 8.826 HA :: 5.132 HB2 :: 3.069 HB3 :: 2.547 HD1 :: 6.895 HD2 :: 6.895 HE1 :: 7.041 HE2 :: 7.041 HZ :: 7.183 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 :: 123.945 Ave N Shift Values>> N :: 120.69(4.18) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 172.891 CA :: 60.165 CB :: 39.798 CG1 :: 27.230 CG2 :: 17.350 CD1 :: 12.962 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 :: 8.817 HA :: 4.032 HB :: 1.683 HG12 :: 1.228 HG13 :: 0.788 HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 HD11 :: 0.541 HD12 :: 0.541 HD13 :: 0.541 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 :: 131.393 Ave N Shift Values>> N :: 121.6(4.72) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 K 0.23 R 0.05 C Shift Assignments>> C :: 174.504 CA :: 55.060 CB :: 35.047 CG :: 26.688 CD :: 28.843 CE :: 40.164 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 :: 8.391 HA :: 4.340 HB2 :: 1.596 HB3 :: 1.426 HG2 :: 1.428 HG3 :: 1.401 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.394 HE3 :: 2.382 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 :: 128.385 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 N 0.31 D 0.28 G 0.04 C Shift Assignments>> C :: 173.134 CA :: 51.706 CB :: 41.902 CG :: 174.756 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 :: 8.968 HA :: 4.758 HB2 :: 2.416 HB3 :: 1.354(S) HD21 :: 6.966 HD22 :: 5.503 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 :: 125.195 ND2 :: 105.425 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 C Shift Assignments>> C :: 174.432 CA :: 57.515 CB :: 27.440 CE1 :: 136.684 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 :: 7.929 HA :: 3.906 HB2 :: 3.290 HB3 :: 2.258 HD1 :: 11.315 HD2 :: 7.167 HE1 :: 7.735 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 :: 129.409 ND1 :: 203.283 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.09 A 0.02 C Shift Assignments>> C :: 174.605 CA :: 58.345 CB :: 33.521 CG1 :: 20.441 CG2 :: 17.262 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 :: 6.821 HA :: 4.660 HB :: 1.236 HG11 :: 0.560 HG12 :: 0.560 HG13 :: 0.560 HG21 :: 0.053 HG22 :: 0.053 HG23 :: 0.053 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 :: 117.194 Ave N Shift Values>> N :: 121.02(4.96) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.16 C 0.15 C Shift Assignments>> C :: 176.193 CA :: 50.407 CB :: 38.378 CG :: 177.366 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 :: 8.442 HA :: 4.832 HB2 :: 3.297 HB3 :: 2.350 HD21 :: 6.759 HD22 :: 6.187 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 :: 115.050 ND2 :: 107.510 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.29 F 0.16 C Shift Assignments>> C :: 176.730 CA :: 53.926 CB :: 38.416 CD1 :: 130.848 CD2 :: 130.848 CE1 :: 127.680 CE2 :: 127.680 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 :: 6.145 HA :: 4.825 HB2 :: 3.697 HB3 :: 2.734 HD1 :: 6.975 HD2 :: 6.975 HE1 :: 6.602 HE2 :: 6.602 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 :: 108.368 Ave N Shift Values>> N :: 120.69(4.18) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.32 R 0.15 HN Overlap>> 1.N167 1.N167 C Shift Assignments>> C :: 178.309 CA :: 56.959 CB :: 41.748 CG :: 29.175 CD1 :: 24.122 CD2 :: 24.317 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 :: 8.454 HA :: 4.029 HB2 :: 1.555 HB3 :: 1.203 HG :: 1.687 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 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 :: 126.708 Ave N Shift Values>> N :: 121.98(4.07) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.801 CA :: 44.721 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.477 HA2 :: 4.101 HA3 :: 3.634 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.153 Ave N Shift Values>> N :: 109.91(4.29) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 172.963 CA :: 45.488 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.289 HA2 :: 3.990 HA3 :: 3.492 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.056 Ave N Shift Values>> N :: 109.91(4.29) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> C :: 175.212 CA :: 59.640 CB :: 34.285 CG1 :: 20.557 CG2 :: 19.152 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 :: 6.934 HA :: 4.051 HB :: 1.407 HG11 :: 0.425 HG12 :: 0.425 HG13 :: 0.425 HG21 :: 0.190 HG22 :: 0.190 HG23 :: 0.190 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 :: 117.248 Ave N Shift Values>> N :: 121.02(4.96) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> CA :: 57.185 CB :: 62.823 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.890 HA :: 4.577 HB2 :: 4.303 HB3 :: 4.017 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 :: 122.847 Ave N Shift Values>> N :: 116.3(3.95) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 179.192 CA :: 65.538 CB :: 31.547 CG :: 27.698 CD :: 50.821 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 :: 4.427 HB2 :: 2.429 HB3 :: 1.909 HG2 :: 2.122 HG3 :: 2.084 HD2 :: 3.968 HD3 :: 3.897 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.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.35 E 0.2 C Shift Assignments>> C :: 177.840 CA :: 58.885 CB :: 28.098 CG :: 34.064 CD :: 180.578 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 :: 8.160 HA :: 4.020 HB2 :: 2.125 HB3 :: 1.928 HG2 :: 2.396 HG3 :: 2.305 HE21 :: 6.969 HE22 :: 7.462 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 :: 117.211 NE2 :: 114.090 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.764 CA :: 66.530 CB :: 68.846 CG2 :: 23.713 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 :: 7.676 HA :: 4.036 HB :: 4.280 HG21 :: 1.332 HG22 :: 1.332 HG23 :: 1.332 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 :: 118.291 Ave N Shift Values>> N :: 115.7(5.05) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.21 Q 0.11 HN Overlap>> 1.T122 1.T122 C Shift Assignments>> C :: 178.283 CA :: 60.980 CB :: 29.305 CG :: 35.605 CD :: 178.548 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 :: 7.549 HA :: 4.117 HB2 :: 2.152 HB3 :: 2.222 HG2 :: 2.366 HG3 :: 2.216 HE21 :: 6.098 HE22 :: 7.396 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 :: 119.152 NE2 :: 118.017 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.045 CB :: 63.303 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.893 HA :: 4.473 HB2 :: 3.935 HB3 :: 3.794 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 :: 117.456 Ave N Shift Values>> N :: 116.3(3.95) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 Y 0.11 N 0.09 M 0.09 F 0.05 K 0.04 I 0.02 D 0.01 Q 0.01 HN Overlap>> 1.F123 1.F123 C Shift Assignments>> C :: 178.025 CA :: 55.545 CB :: 36.537 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 :: 8.379 HA :: 4.636 HB2 :: 3.175 HB3 :: 2.387 HD21 :: 6.769 HD22 :: 8.289 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 :: 121.494 ND2 :: 110.641 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.39 R 0.05 K 0.02 HN Overlap>> 1.M139 1.M139 C Shift Assignments>> C :: 179.281 CA :: 57.600 CB :: 40.476 CG :: 26.827 CD1 :: 27.544 CD2 :: 23.981 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 :: 7.446 HA :: 4.057 HB2 :: 2.137 HB3 :: 1.164 HG :: 1.928 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 0.520 HD22 :: 0.520 HD23 :: 0.520 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 :: 118.783 Ave N Shift Values>> N :: 121.98(4.07) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.089 CB :: 62.454 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.052 HA :: 4.488 HB2 :: 3.984 HB3 :: 3.932 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.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.38 R 0.03 C Shift Assignments>> C :: 178.370 CA :: 58.048 CB :: 41.182 CG :: 26.885 CD1 :: 25.254 CD2 :: 22.990 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 :: 8.416 HA :: 3.922 HB2 :: 2.278 HB3 :: 1.180 HG :: 1.806 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.717 HD22 :: 0.717 HD23 :: 0.717 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 :: 119.691 Ave N Shift Values>> N :: 121.98(4.07) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.29 I 0.04 C 0.04 V 0.02 C Shift Assignments>> C :: 178.510 CA :: 55.763 CB :: 18.879 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.362 HA :: 3.904 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 :: 120.466 Ave N Shift Values>> N :: 123.23(3.7) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 176.114 CA :: 62.357 CB :: 38.050 CD1 :: 132.291 CD2 :: 132.291 CE1 :: 117.845 CE2 :: 117.845 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 :: 8.380 HA :: 3.810 HB2 :: 3.442 HB3 :: 3.064 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.835 HE2 :: 6.835 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 :: 117.567 Ave N Shift Values>> N :: 120.79(4.69) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.32 R 0.24 G 0.03 C Shift Assignments>> C :: 180.310 CA :: 57.746 CB :: 42.701 CG :: 27.696 CD1 :: 26.201 CD2 :: 22.959 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 :: 8.168 HA :: 3.742 HB2 :: 2.157 HB3 :: 1.320 HG :: 2.045 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 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 :: 119.821 Ave N Shift Values>> N :: 121.98(4.07) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.S65 1.S65 C Shift Assignments>> C :: 177.462 CA :: 67.021 CB :: 31.849 CG1 :: 23.856 CG2 :: 21.884 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 :: 8.908 HA :: 3.424 HB :: 2.184 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 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 :: 122.924 Ave N Shift Values>> N :: 121.02(4.96) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.29 I 0.05 C 0.02 C Shift Assignments>> C :: 179.922 CA :: 55.450 CB :: 17.816 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.406 HA :: 3.724 HB1 :: 1.173 HB2 :: 1.173 HB3 :: 1.173 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.859 Ave N Shift Values>> N :: 123.23(3.7) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.17 M 0.03 C Shift Assignments>> C :: 179.578 CA :: 58.874 CB :: 32.137 CG :: 24.235 CD :: 29.394 CE :: 41.977 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 :: 8.587 HA :: 3.886 HB2 :: 1.770 HB3 :: 1.285 HG2 :: 1.270 HG3 :: 1.134 HD2 :: 1.642 HD3 :: 1.521 HE2 :: 2.997 HE3 :: 2.997 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 :: 119.037 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 177.179 CA :: 59.110 CB :: 31.730 CG :: 24.746 CD :: 29.226 CE :: 42.134 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 :: 7.880 HA :: 3.836 HB2 :: 1.939 HB3 :: 1.722 HG2 :: 1.118 HG3 :: 0.295(S) HD2 :: 1.303 HD3 :: 1.205 HE2 :: 2.620 HE3 :: 2.755 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 :: 122.614 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 C Shift Assignments>> C :: 174.609 CA :: 55.882 CB :: 30.099 CD2 :: 120.576 CE1 :: 138.857 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 :: 7.146 HA :: 4.470 HB2 :: 3.557 HB3 :: 2.585 HD2 :: 7.504 HE1 :: 7.719 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 :: 113.795 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G83 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 :: 175.457 CA :: 46.777 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.804 HA2 :: 4.024 HA3 :: 4.077 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.719 Ave N Shift Values>> N :: 109.91(4.29) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.45 E 0.05 C Shift Assignments>> C :: 175.896 CA :: 53.733 CB :: 30.591 CG :: 32.909 CD :: 179.485 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 :: 8.237 HA :: 4.936 HB2 :: 2.605 HB3 :: 1.385 HG2 :: 2.220 HG3 :: 2.190 HE21 :: 6.722 HE22 :: 7.175 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 :: 116.672 NE2 :: 110.404 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.17 I 0.1 C 0.03 HN Overlap>> 1.F26 1.F26 C Shift Assignments>> C :: 179.713 CA :: 56.293 CB :: 17.652 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.308 HA :: 3.623 HB1 :: 1.184 HB2 :: 1.184 HB3 :: 1.184 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.405 Ave N Shift Values>> N :: 123.23(3.7) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.09 D 0.06 L 0.04 E 0.02 N 0.02 C Shift Assignments>> C :: 178.950 CA :: 57.585 CB :: 39.203 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 :: 8.757 HA :: 4.434 HB2 :: 2.649 HB3 :: 2.649 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 :: 118.842 Ave N Shift Values>> N :: 120.73(4.2) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.Q99 1.Q99 C Shift Assignments>> C :: 176.464 CA :: 65.120 CB :: 68.529 CG2 :: 21.940 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 :: 8.055 HA :: 4.116 HB :: 4.086 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 116.411 Ave N Shift Values>> N :: 115.7(5.05) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.42 M 0.01 C Shift Assignments>> C :: 177.005 CA :: 62.566 CB :: 34.853 CG1 :: 28.830 CG2 :: 17.227 CD1 :: 10.040 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 :: 8.069 HA :: 3.646 HB :: 1.826 HG12 :: 1.553 HG13 :: 1.208 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 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 :: 120.592 Ave N Shift Values>> N :: 121.6(4.72) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.474 CA :: 68.001 CB :: 68.412 CG2 :: 21.761 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 :: 8.432 HA :: 4.006 HB :: 4.503 HG21 :: 1.542 HG22 :: 1.542 HG23 :: 1.542 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 :: 118.045 Ave N Shift Values>> N :: 115.7(5.05) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 R 0.18 L 0.16 F 0.13 C 0.12 Y 0.09 D 0.04 I 0.02 HN Overlap>> 1.K111 1.K111 1.D108 1.D108 C Shift Assignments>> C :: 177.602 CA :: 57.776 CB :: 42.300 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 :: 7.222 HA :: 4.735 HB2 :: 2.866 HB3 :: 2.866 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 :: 119.639 Ave N Shift Values>> N :: 120.73(4.2) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.21 M 0.03 C Shift Assignments>> C :: 180.360 CA :: 58.062 CB :: 31.679 CG :: 24.504 CD :: 29.190 CE :: 41.934 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 :: 8.063 HA :: 3.945 HB2 :: 1.879 HB3 :: 1.706 HG2 :: 1.315 HG3 :: 1.201 HD2 :: 1.641 HD3 :: 1.518 HE2 :: 2.909 HE3 :: 2.791 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 :: 115.231 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.326 CA :: 66.207 CB :: 37.051 CG1 :: 29.459 CG2 :: 18.034 CD1 :: 13.285 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 :: 8.690 HA :: 3.193 HB :: 1.098 HG12 :: 1.564 HG13 :: 0.123 HG21 :: -0.447(S) HG22 :: -0.447(S) HG23 :: -0.447(S) HD11 :: 0.049 HD12 :: 0.049 HD13 :: 0.049 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 :: 122.563 Ave N Shift Values>> N :: 121.6(4.72) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 179.282 CA :: 63.206 CB :: 39.083 CD1 :: 131.979 CD2 :: 131.979 CE1 :: 131.766 CE2 :: 131.766 CZ :: 130.914 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 :: 8.207 HA :: 4.264 HB2 :: 3.296 HB3 :: 2.776 HD1 :: 7.586 HD2 :: 7.586 HE1 :: 7.263 HE2 :: 7.263 HZ :: 7.200 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 :: 117.709 Ave N Shift Values>> N :: 120.69(4.18) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.3 K 0.23 G 0.01 C Shift Assignments>> C :: 179.157 CA :: 60.012 CB :: 32.216 CG :: 27.173 CD :: 29.219 CE :: 41.991 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 :: 8.581 HA :: 3.715 HB2 :: 1.842 HB3 :: 1.819 HG2 :: 1.720 HG3 :: 1.437 HD2 :: 1.577 HD3 :: 1.515 HE2 :: 3.034 HE3 :: 2.991 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 :: 115.652 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 179.187 CA :: 61.758 CB :: 63.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.048 HA :: 4.110 HB2 :: 4.070 HB3 :: 3.837 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 :: 116.591 Ave N Shift Values>> N :: 116.3(3.95) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.379 CA :: 64.868 CB :: 40.254 CG1 :: 28.798 CG2 :: 16.567 CD1 :: 14.488 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 :: 7.430 HA :: 3.275 HB :: 1.164 HG12 :: 1.447 HG13 :: 0.612 HG21 :: 0.001 HG22 :: 0.001 HG23 :: 0.001 HD11 :: -0.185 HD12 :: -0.185 HD13 :: -0.185 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 :: 117.285 Ave N Shift Values>> N :: 121.6(4.72) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 H 0.42 C Shift Assignments>> C :: 176.408 CA :: 58.713 CB :: 32.279 CD2 :: 119.227 CE1 :: 137.468 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 :: 8.066 HA :: 4.169 HB2 :: 2.886 HB3 :: 2.180 HD2 :: 7.470 HE1 :: 8.034 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 :: 114.093 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.147 CA :: 64.249 CB :: 32.071 CG1 :: 21.312 CG2 :: 20.879 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 :: 8.103 HA :: 4.199 HB :: 2.409 HG11 :: 1.071 HG12 :: 1.071 HG13 :: 1.071 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 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 :: 119.122 Ave N Shift Values>> N :: 121.02(4.96) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 C 0.4 E 0.17 HN Overlap>> 1.T87 1.T87 C Shift Assignments>> C :: 175.517 CA :: 56.533 CB :: 28.239 CG :: 34.229 CD :: 179.753 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 :: 7.972 HA :: 4.126 HB2 :: 2.370 HB3 :: 2.229 HG2 :: 2.349 HG3 :: 2.232 HE21 :: 6.668 HE22 :: 7.419 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 :: 116.477 NE2 :: 111.296 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.24 K 0.2 R 0.04 G 0.03 C Shift Assignments>> C :: 174.201 CA :: 56.277 CB :: 25.735 CG :: 26.716 CD :: 42.848 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 :: 6.966 HA :: 3.754 HB2 :: 2.005 HB3 :: 1.805 HG2 :: 1.411 HG3 :: 1.364 HD2 :: 3.088 HD3 :: 3.030 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 :: 112.500 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.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 G 0.23 M 0.04 C 0.02 C Shift Assignments>> C :: 175.548 CA :: 48.496 CB :: 18.483 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.367 HA :: 4.833 HB1 :: 1.060 HB2 :: 1.060 HB3 :: 1.060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.589 Ave N Shift Values>> N :: 123.23(3.7) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 175.008 CA :: 64.080 CB :: 31.856 CG :: 26.727 CD :: 50.632 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 :: 4.194 HB2 :: 2.167 HB3 :: 2.107 HG2 :: 1.934 HG3 :: 1.892 HD2 :: 3.786 HD3 :: 3.632 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.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.42 A 0.1 C Shift Assignments>> C :: 174.362 CA :: 54.609 CB :: 39.127 CG :: 27.346 CD1 :: 25.439 CD2 :: 22.500 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 :: 8.348 HA :: 3.643 HB2 :: 1.836 HB3 :: 1.149 HG :: 0.597 HD11 :: 1.502 HD12 :: 1.502 HD13 :: 1.502 HD21 :: 0.478 HD22 :: 0.478 HD23 :: 0.478 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 :: 116.387 Ave N Shift Values>> N :: 121.98(4.07) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 175.915 CA :: 62.894 CB :: 68.392 CG2 :: 22.308 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 :: 7.294 HA :: 4.022 HB :: 4.194 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 106.536 Ave N Shift Values>> N :: 115.7(5.05) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 M 0.12 K 0.1 Q 0.08 I 0.01 C Shift Assignments>> C :: 177.811 CA :: 54.180 CB :: 30.025 CG :: 35.874 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 :: 8.110 HA :: 4.560 HB2 :: 2.084 HB3 :: 1.901 HG2 :: 2.209 HG3 :: 2.170 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 :: 120.989 Ave N Shift Values>> N :: 120.68(3.68) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.032 CA :: 63.269 CB :: 37.419 CG1 :: 29.390 CG2 :: 17.071 CD1 :: 12.695 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 :: 8.922 HA :: 3.867 HB :: 1.864 HG12 :: 1.391 HG13 :: 1.362 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 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 :: 127.749 Ave N Shift Values>> N :: 121.6(4.72) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 C Shift Assignments>> C :: 178.612 CA :: 59.349 CB :: 31.557 CG :: 24.505 CD :: 29.142 CE :: 41.884 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 :: 8.568 HA :: 3.849 HB2 :: 1.737 HB3 :: 1.646 HG2 :: 1.316 HG3 :: 1.208 HD2 :: 1.568 HD3 :: 1.513 HE2 :: 2.860 HE3 :: 2.798 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 :: 120.093 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.16 C 0.14 L 0.14 D 0.13 K 0.12 I 0.03 N 0.02 R 0.02 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 178.504 CA :: 56.754 CB :: 40.687 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 :: 7.189 HA :: 4.357 HB2 :: 2.595 HB3 :: 2.554 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 :: 119.650 Ave N Shift Values>> N :: 120.73(4.2) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 R 0.05 C Shift Assignments>> C :: 177.424 CA :: 57.488 CB :: 41.651 CG :: 26.727 CD1 :: 25.194 CD2 :: 22.617 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 :: 7.230 HA :: 3.840 HB2 :: 1.768 HB3 :: 1.321 HG :: 1.141 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 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 :: 123.574 Ave N Shift Values>> N :: 121.98(4.07) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.35 R 0.22 M 0.01 C Shift Assignments>> C :: 178.865 CA :: 59.884 CB :: 31.598 CG :: 26.123 CD :: 29.605 CE :: 41.605 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 :: 8.458 HA :: 3.182 HB2 :: 1.526 HB3 :: 1.384 HG2 :: 1.052 HG3 :: 0.526 HE2 :: 2.689 HE3 :: 2.689 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 :: 116.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 177.181 CA :: 58.930 CB :: 31.886 CG :: 24.311 CD :: 28.843 CE :: 41.756 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 :: 7.304 HA :: 3.978 HB2 :: 1.847 HB3 :: 1.783 HG2 :: 1.441 HG3 :: 1.354 HD2 :: 1.583 HD3 :: 1.497 HE2 :: 2.851 HE3 :: 2.784 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 :: 119.650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.41 R 0.06 C Shift Assignments>> C :: 179.360 CA :: 58.162 CB :: 41.172 CG :: 27.268 CD1 :: 25.581 CD2 :: 25.791 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 :: 7.061 HA :: 3.906 HB2 :: 1.738 HB3 :: 1.519 HG :: 1.346 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.567 HD22 :: 0.567 HD23 :: 0.567 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 :: 119.566 Ave N Shift Values>> N :: 121.98(4.07) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.12 V 0.03 C Shift Assignments>> C :: 178.045 CA :: 59.534 CB :: 39.529 CG :: 29.237 CD1 :: 25.062 CD2 :: 23.857 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 :: 7.832 HA :: 3.606 HB2 :: 1.640 HB3 :: 1.565 HG :: 1.503 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 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 :: 120.725 Ave N Shift Values>> N :: 121.98(4.07) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.18 K 0.18 C 0.12 F 0.11 Y 0.07 D 0.05 G 0.01 I 0.01 C Shift Assignments>> C :: 180.578 CA :: 57.478 CB :: 42.603 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 :: 8.129 HA :: 4.164 HB2 :: 2.676 HB3 :: 2.650 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 :: 121.765 Ave N Shift Values>> N :: 120.73(4.2) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.Y164 1.Y164 C Shift Assignments>> C :: 176.536 CA :: 63.416 CB :: 37.680 CG1 :: 27.800 CG2 :: 17.037 CD1 :: 13.478 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 :: 7.921 HA :: 3.904 HB :: 1.888 HG12 :: 1.487 HG13 :: 1.291 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 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 :: 117.121 Ave N Shift Values>> N :: 121.6(4.72) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.15 C 0.11 F 0.08 K 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 173.704 CA :: 53.948 CB :: 40.750 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 :: 7.167 HA :: 4.698 HB2 :: 2.847 HB3 :: 2.302 HD21 :: 7.217 HD22 :: 7.892 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 :: 117.142 ND2 :: 116.117 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.157 CA :: 45.961 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.425 HA2 :: 3.650 HA3 :: 4.220 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.525 Ave N Shift Values>> N :: 109.91(4.29) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 173.429 CA :: 59.765 CB :: 37.655 CG1 :: 26.464 CG2 :: 16.232 CD1 :: 13.537 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 :: 8.137 HA :: 4.053 HB :: 1.487 HG12 :: 1.201 HG13 :: 0.676 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 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 :: 123.558 Ave N Shift Values>> N :: 121.6(4.72) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.748 CA :: 57.966 CB :: 64.711 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.365 HA :: 4.439 HB2 :: 4.184 HB3 :: 3.921 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 :: 121.349 Ave N Shift Values>> N :: 116.3(3.95) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.733 CB :: 62.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.755 HA :: 4.231 HB2 :: 3.806 HB3 :: 3.771 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 :: 117.995 Ave N Shift Values>> N :: 116.3(3.95) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.21 C 0.17 D 0.13 L 0.1 K 0.05 I 0.04 N 0.04 C Shift Assignments>> C :: 178.415 CA :: 56.820 CB :: 40.066 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 :: 8.223 HA :: 4.319 HB2 :: 2.544 HB3 :: 2.456 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 :: 117.985 Ave N Shift Values>> N :: 120.73(4.2) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.Q69 1.Q69 C Shift Assignments>> C :: 174.930 CA :: 66.415 CB :: 68.019 CG2 :: 22.136 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 :: 7.559 HA :: 3.725 HB :: 4.176 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 119.254 Ave N Shift Values>> N :: 115.7(5.05) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 HN Overlap>> 1.N71 1.N71 C Shift Assignments>> C :: 175.898 CA :: 62.582 CB :: 39.269 CD1 :: 132.171 CD2 :: 132.171 CE1 :: 130.279 CE2 :: 130.279 CZ :: 128.774 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 :: 8.423 HA :: 3.803 HB2 :: 3.193 HB3 :: 2.822 HD1 :: 7.080 HD2 :: 7.080 HE1 :: 6.939 HE2 :: 6.939 HZ :: 6.916 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 :: 121.506 Ave N Shift Values>> N :: 120.69(4.18) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.11 L 0.08 I 0.05 K 0.04 N 0.03 HN Overlap>> 1.T157 1.T157 C Shift Assignments>> C :: 179.007 CA :: 57.060 CB :: 39.911 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 :: 8.376 HA :: 4.137 HB2 :: 2.718 HB3 :: 2.481 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 :: 117.172 Ave N Shift Values>> N :: 120.73(4.2) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.37 E 0.21 C Shift Assignments>> C :: 178.937 CA :: 58.121 CB :: 28.705 CG :: 33.900 CD :: 180.533 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 :: 7.749 HA :: 3.968 HB2 :: 2.079 HB3 :: 2.059 HG2 :: 2.447 HG3 :: 2.338 HE21 :: 6.711 HE22 :: 7.385 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 :: 117.969 NE2 :: 111.674 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 C 0.16 K 0.11 L 0.1 D 0.07 I 0.06 R 0.01 N 0.01 C Shift Assignments>> C :: 181.272 CA :: 57.752 CB :: 40.580 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 :: 8.763 HA :: 4.348 HB2 :: 2.752 HB3 :: 2.222 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 :: 121.023 Ave N Shift Values>> N :: 120.73(4.2) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.13 C Shift Assignments>> C :: 173.962 CA :: 64.590 CB :: 36.825 CG1 :: 25.515 CG2 :: 18.522 CD1 :: 14.282 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 :: 8.500 HA :: 3.825 HB :: 1.707 HG12 :: 1.148 HG13 :: 0.984 HG21 :: 0.196 HG22 :: 0.196 HG23 :: 0.196 HD11 :: 0.548 HD12 :: 0.548 HD13 :: 0.548 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 :: 115.943 Ave N Shift Values>> N :: 121.6(4.72) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.02 C Shift Assignments>> C :: 176.971 CA :: 50.677 CB :: 19.078 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.551 HA :: 4.440 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 123.23(3.7) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.537 CA :: 57.211 CB :: 65.396 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.777 HA :: 4.463 HB2 :: 4.180 HB3 :: 4.062 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 :: 117.545 Ave N Shift Values>> N :: 116.3(3.95) 1.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.32 I 0.01 C Shift Assignments>> C :: 175.612 CA :: 58.889 CB :: 29.424 CG :: 32.019 CE :: 16.682 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 :: 9.063 HA :: 4.366 HB2 :: 2.147 HB3 :: 2.077 HG2 :: 2.699 HG3 :: 2.592 HE1 :: 2.039 HE2 :: 2.039 HE3 :: 2.039 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 :: 123.634 Ave N Shift Values>> N :: 120.1(3.88) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 180.058 CA :: 65.826 CB :: 31.449 CG :: 28.369 CD :: 50.327 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 :: 4.282 HB2 :: 2.319 HB3 :: 1.669 HG2 :: 2.047 HG3 :: 1.898 HD2 :: 3.803 HD3 :: 3.530 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.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.34 C Shift Assignments>> C :: 176.770 CA :: 61.936 CB :: 34.980 CG1 :: 27.374 CG2 :: 17.371 CD1 :: 9.570 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 :: 6.728 HA :: 3.843 HB :: 2.219 HG12 :: 1.269 HG13 :: 1.144 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 HD11 :: 0.536 HD12 :: 0.536 HD13 :: 0.536 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 :: 118.006 Ave N Shift Values>> N :: 121.6(4.72) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 180.239 CA :: 65.574 CB :: 38.627 CG1 :: 29.456 CG2 :: 16.454 CD1 :: 13.714 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 :: 7.931 HA :: 3.521 HB :: 1.711 HG12 :: 1.678 HG13 :: 0.924 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 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 :: 121.465 Ave N Shift Values>> N :: 121.6(4.72) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 C 0.02 I 0.02 HN Overlap>> 1.D141 1.D141 C Shift Assignments>> C :: 180.570 CA :: 54.517 CB :: 17.943 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.921 HA :: 4.134 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.853 Ave N Shift Values>> N :: 123.23(3.7) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 C 0.03 I 0.01 HN Overlap>> 1.A51 1.A51 C Shift Assignments>> C :: 180.304 CA :: 54.503 CB :: 18.892 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.658 HA :: 4.246 HB1 :: 1.596 HB2 :: 1.596 HB3 :: 1.596 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.009 Ave N Shift Values>> N :: 123.23(3.7) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.29 E 0.12 K 0.01 C Shift Assignments>> C :: 178.296 CA :: 61.307 CB :: 28.194 CG :: 37.098 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 :: 8.343 HA :: 3.912 HB2 :: 2.357 HB3 :: 1.650 HG2 :: 2.423 HG3 :: 2.404 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 :: 123.514 Ave N Shift Values>> N :: 120.68(3.68) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.43 E 0.1 C Shift Assignments>> C :: 178.265 CA :: 58.247 CB :: 27.875 CG :: 33.472 CD :: 179.864 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 :: 8.088 HA :: 3.725 HB2 :: 2.207 HB3 :: 2.034 HG2 :: 2.343 HG3 :: 2.343 HE21 :: 6.692 HE22 :: 7.687 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 :: 119.459 NE2 :: 115.031 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.512 CA :: 54.789 CB :: 17.655 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.186 HA :: 4.219 HB1 :: 1.489 HB2 :: 1.489 HB3 :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.861 Ave N Shift Values>> N :: 123.23(3.7) 1.M139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.35 I 0.03 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 179.495 CA :: 59.660 CB :: 31.674 CG :: 33.489 CE :: 17.439 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 :: 7.531 HA :: 4.395 HB2 :: 2.548 HB3 :: 2.180 HG2 :: 3.022 HG3 :: 2.536 HE1 :: 2.395 HE2 :: 2.395 HE3 :: 2.395 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 :: 118.783 Ave N Shift Values>> N :: 120.1(3.88) 1.Q140 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.43 E 0.31 Q 0.25 C Shift Assignments>> C :: 177.991 CA :: 60.001 CB :: 28.898 CG :: 34.797 CD :: 180.444 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 :: 7.703 HA :: 3.753 HB2 :: 2.065 HB3 :: 2.065 HG2 :: 2.477 HG3 :: 1.862 HE21 :: 6.551 HE22 :: 9.139(A) 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 :: 120.442 NE2 :: 118.274 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 D 0.1 L 0.08 I 0.06 K 0.05 N 0.02 HN Overlap>> 1.A134 1.A134 C Shift Assignments>> C :: 179.575 CA :: 57.283 CB :: 40.030 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 :: 9.016 HA :: 4.314 HB2 :: 2.736 HB3 :: 2.610 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 :: 120.906 Ave N Shift Values>> N :: 120.73(4.2) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.35 K 0.2 G 0.02 HN Overlap>> 1.A40 1.A40 C Shift Assignments>> C :: 178.142 CA :: 60.488 CB :: 32.268 CG :: 26.958 CD :: 29.629 CE :: 42.291 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 :: 8.282 HA :: 3.986 HB2 :: 2.273 HB3 :: 1.998 HG2 :: 1.639 HG3 :: 1.639 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 3.030 HE3 :: 2.925 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 :: 121.936 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.4 E 0.18 C Shift Assignments>> C :: 177.786 CA :: 58.567 CB :: 29.567 CG :: 33.624 CD :: 179.975 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 :: 7.796 HA :: 3.686 HB2 :: 2.366 HB3 :: 2.174 HG2 :: 2.154 HG3 :: 1.744 HE21 :: 7.663 HE22 :: 7.405 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 :: 118.973 NE2 :: 112.316 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 N 0.38 D 0.09 C Shift Assignments>> C :: 177.423 CA :: 55.756 CB :: 37.614 CG :: 176.139 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 :: 8.684 HA :: 4.488 HB2 :: 2.843 HB3 :: 2.753 HD21 :: 7.374 HD22 :: 7.656 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 :: 117.887 ND2 :: 114.420 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.13 M 0.04 C Shift Assignments>> C :: 178.867 CA :: 59.205 CB :: 31.969 CG :: 23.889 CD :: 29.259 CE :: 41.431 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 :: 8.194 HA :: 3.896 HB2 :: 1.766 HB3 :: 1.720 HG2 :: 1.143 HG3 :: 0.755 HD2 :: 1.406 HD3 :: 1.406 HE2 :: 2.629 HE3 :: 2.629 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 :: 123.119 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 179.104 CA :: 62.660 CB :: 38.400 CD1 :: 131.787 CD2 :: 131.787 CE1 :: 117.301 CE2 :: 117.301 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 :: 7.976 HA :: 3.946 HB2 :: 2.451 HB3 :: 2.386 HD1 :: 6.877 HD2 :: 6.877 HE1 :: 6.626 HE2 :: 6.626 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 :: 114.825 Ave N Shift Values>> N :: 120.79(4.69) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D178 1.D178 C Shift Assignments>> C :: 178.474 CA :: 61.472 CB :: 62.470 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.708 HA :: 4.411 HB2 :: 3.978 HB3 :: 3.924 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 :: 119.330 Ave N Shift Values>> N :: 116.3(3.95) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.23 M 0.01 C Shift Assignments>> C :: 178.587 CA :: 59.090 CB :: 31.682 CG :: 25.038 CD :: 28.845 CE :: 41.991 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 :: 8.067 HA :: 3.982 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 1.487 HG3 :: 1.386 HD2 :: 1.637 HD3 :: 1.568 HE2 :: 2.851 HE3 :: 2.782 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 :: 124.005 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.25 R 0.08 G 0.07 A 0.05 C Shift Assignments>> C :: 177.419 CA :: 55.416 CB :: 43.164 CG :: 26.608 CD1 :: 25.482 CD2 :: 22.374 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 :: 7.231 HA :: 4.179 HB2 :: 1.578 HB3 :: 1.535 HG :: 1.637 HD11 :: 0.417 HD12 :: 0.417 HD13 :: 0.417 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 115.842 Ave N Shift Values>> N :: 121.98(4.07) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.350 CA :: 44.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.649 HA2 :: 3.645 HA3 :: 4.080 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.985 Ave N Shift Values>> N :: 109.91(4.29) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.17 L 0.06 C 0.05 C Shift Assignments>> C :: 175.348 CA :: 52.168 CB :: 20.787 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.433 HA :: 4.317 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.237 Ave N Shift Values>> N :: 123.23(3.7) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.22 C 0.2 R 0.07 A 0.02 C Shift Assignments>> C :: 174.098 CA :: 52.300 CB :: 43.506 CG :: 26.833 CD1 :: 23.820 CD2 :: 26.642 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 :: 6.994 HA :: 4.663 HB2 :: 1.469 HB3 :: 0.524 HG :: 1.307 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.519 HD22 :: 0.519 HD23 :: 0.519 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 :: 119.197 Ave N Shift Values>> N :: 121.98(4.07) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.09 C Shift Assignments>> CA :: 60.817 CB :: 68.835 CG2 :: 21.223 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>> HA :: 4.125 HB :: 4.245 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 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) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.25 L 0.25 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 170.927 CA :: 44.118 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.557 HA2 :: 4.041 HA3 :: 3.936 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.006 Ave N Shift Values>> N :: 109.91(4.29) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 A 0.07 I 0.05 V 0.03 C Shift Assignments>> C :: 171.382 CA :: 57.461 CB :: 34.706 CG1 :: 23.595 CG2 :: 17.727 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 :: 8.446 HA :: 4.474 HB :: 2.015 HG11 :: 0.608 HG12 :: 0.608 HG13 :: 0.608 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 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 :: 110.966 Ave N Shift Values>> N :: 121.02(4.96) 1.P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.07 A 0.01 C Shift Assignments>> C :: 176.725 CA :: 61.967 CB :: 34.374 CG :: 24.109 CD :: 49.705 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 :: 4.999 HB2 :: 2.549 HB3 :: 1.509 HG2 :: 1.425 HG3 :: 1.377 HD2 :: 3.540 HD3 :: 3.286 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.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> 1.I43 1.D124 1.I43 1.D124 C Shift Assignments>> C :: 172.113 CA :: 62.159 CB :: 72.949 CG2 :: 20.976 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 :: 8.349 HA :: 4.715 HB :: 3.799 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 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 :: 117.072 Ave N Shift Values>> N :: 115.7(5.05) 1.F158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.32 C 0.3 G 0.01 C Shift Assignments>> C :: 173.923 CA :: 56.591 CB :: 42.073 CD1 :: 131.187 CD2 :: 131.187 CE1 :: 128.375 CE2 :: 128.375 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 :: 10.344 HA :: 5.396 HB2 :: 2.853 HB3 :: 2.432 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 7.021 HE2 :: 7.021 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 :: 128.146 Ave N Shift Values>> N :: 120.69(4.18) 1.I159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 176.013 CA :: 59.452 CB :: 40.764 CG1 :: 28.062 CG2 :: 17.528 CD1 :: 11.626 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 :: 8.884 HA :: 4.957 HB :: 1.516 HG12 :: 0.565 HG13 :: 0.565 HG21 :: 0.436 HG22 :: 0.436 HG23 :: 0.436 HD11 :: 0.025 HD12 :: 0.025 HD13 :: 0.025 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 :: 121.508 Ave N Shift Values>> N :: 121.6(4.72) 1.V160 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 :: 174.467 CA :: 62.107 CB :: 33.095 CG1 :: 22.094 CG2 :: 20.810 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 :: 10.164 HA :: 4.466 HB :: 2.132 HG11 :: 0.959 HG12 :: 0.959 HG13 :: 0.959 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 132.659 Ave N Shift Values>> N :: 121.02(4.96) 1.N161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 N 0.19 C Shift Assignments>> C :: 176.004 CA :: 54.249 CB :: 36.026 CG :: 174.354 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 :: 9.845 HA :: 4.791 HB2 :: 3.330 HB3 :: 2.841 HD21 :: 6.265 HD22 :: 8.803 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 :: 126.868 ND2 :: 109.817 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 D 0.1 L 0.09 I 0.06 K 0.05 N 0.02 C Shift Assignments>> C :: 176.261 CA :: 57.305 CB :: 40.074 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 :: 9.076 HA :: 4.220 HB2 :: 3.361 HB3 :: 2.590 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 :: 112.133 Ave N Shift Values>> N :: 120.73(4.2) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.28 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 172.707 CA :: 56.717 CB :: 36.421 CG :: 24.532 CD :: 29.230 CE :: 42.156 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 :: 7.312 HA :: 4.433 HB2 :: 1.438 HB3 :: 0.959 HG2 :: 1.061 HG3 :: 0.678 HD2 :: 1.537 HD3 :: 1.443 HE2 :: 2.985 HE3 :: 2.845 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 :: 120.498 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.I115 1.I115 C Shift Assignments>> C :: 174.576 CA :: 55.867 CB :: 41.121 CD1 :: 133.064 CD2 :: 133.064 CE1 :: 118.432 CE2 :: 118.432 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 :: 7.850 HA :: 5.568 HB2 :: 2.849 HB3 :: 2.757 HD1 :: 6.976 HD2 :: 6.976 HE1 :: 6.961 HE2 :: 6.961 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 :: 117.085 Ave N Shift Values>> N :: 120.79(4.69) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.17 M 0.05 C Shift Assignments>> C :: 175.622 CA :: 55.183 CB :: 34.479 CG :: 24.628 CD :: 29.996 CE :: 42.039 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 :: 9.084 HA :: 4.729 HB2 :: 1.904 HB3 :: 1.386 HG2 :: 1.315 HG3 :: 1.192 HD2 :: 1.670 HD3 :: 1.482 HE2 :: 2.989 HE3 :: 2.936 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 :: 127.542 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 174.727 CA :: 62.454 CB :: 39.416 CG1 :: 27.811 CG2 :: 15.969 CD1 :: 13.210 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 :: 8.142 HA :: 3.951 HB :: 1.695 HG12 :: 1.561 HG13 :: 0.731 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 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 :: 126.494 Ave N Shift Values>> N :: 121.6(4.72) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.25 D 0.04 HN Overlap>> 1.L61 1.L61 C Shift Assignments>> C :: 175.085 CA :: 51.459 CB :: 36.859 CG :: 176.451 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 :: 8.528 HA :: 5.091 HB2 :: 2.814 HB3 :: 2.738 HD21 :: 6.616 HD22 :: 7.002 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 :: 126.784 ND2 :: 111.342 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.02 G 0.01 A 0.01 C Shift Assignments>> C :: 177.602 CA :: 57.783 CB :: 42.115 CG :: 26.428 CD1 :: 24.342 CD2 :: 22.278 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 :: 8.366 HA :: 3.711 HB2 :: 1.659 HB3 :: 1.523 HG :: 1.699 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 HD21 :: 0.583 HD22 :: 0.583 HD23 :: 0.583 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 :: 126.135 Ave N Shift Values>> N :: 121.98(4.07) 1.N169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 N 0.43 D 0.08 E 0.01 C Shift Assignments>> C :: 175.745 CA :: 55.026 CB :: 37.032 CG :: 176.897 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 :: 8.605 HA :: 4.484 HB2 :: 2.806 HB3 :: 2.733 HD21 :: 6.918 HD22 :: 7.572 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 :: 113.846 ND2 :: 113.935 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.193 CA :: 62.221 CB :: 70.055 CG2 :: 21.609 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 :: 7.488 HA :: 4.315 HB :: 4.320 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 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 :: 108.220 Ave N Shift Values>> N :: 115.7(5.05) 1.I171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.25 A 0.03 C Shift Assignments>> C :: 177.124 CA :: 58.399 CB :: 37.062 CG1 :: 26.351 CG2 :: 19.322 CD1 :: 10.567 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 :: 7.091 HA :: 4.285 HB :: 2.027 HG12 :: 1.583 HG13 :: 1.139 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 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 :: 122.168 Ave N Shift Values>> N :: 121.6(4.72) 1.K172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.16 M 0.01 C Shift Assignments>> C :: 176.125 CA :: 56.648 CB :: 33.322 CG :: 24.511 CD :: 28.296 CE :: 41.807 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 :: 9.109 HA :: 4.364 HB2 :: 1.871 HB3 :: 1.784 HG2 :: 1.473 HG3 :: 1.386 HD2 :: 1.605 HD3 :: 1.605 HE2 :: 2.941 HE3 :: 2.851 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 :: 124.917 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 173.641 CA :: 56.861 CB :: 66.036 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.358 HA :: 4.629 HB2 :: 4.139 HB3 :: 3.923 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 :: 111.333 Ave N Shift Values>> N :: 116.3(3.95) 1.Q174 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 Q 0.39 E 0.02 HN Overlap>> 1.D178 1.D178 C Shift Assignments>> C :: 176.696 CA :: 57.753 CB :: 27.723 CG :: 32.352 CD :: 179.329 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 :: 8.794 HA :: 3.643 HB2 :: 2.096 HB3 :: 1.740 HG2 :: 2.268 HG3 :: 2.103 HE21 :: 8.244 HE22 :: 5.147(S) 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 :: 119.432 NE2 :: 113.778 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.33 E 0.24 K 0.04 C Shift Assignments>> C :: 179.288 CA :: 60.054 CB :: 28.507 CG :: 36.689 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 :: 8.684 HA :: 4.057 HB2 :: 1.970 HB3 :: 1.851 HG2 :: 2.318 HG3 :: 2.215 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 :: 118.214 Ave N Shift Values>> N :: 120.68(3.68) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.2 M 0.03 K 0.02 C Shift Assignments>> C :: 177.639 CA :: 58.922 CB :: 30.240 CG :: 37.199 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 :: 7.770 HA :: 4.127 HB2 :: 2.140 HB3 :: 2.003 HG2 :: 2.377 HG3 :: 2.289 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 :: 121.145 Ave N Shift Values>> N :: 120.68(3.68) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.43 R 0.03 C Shift Assignments>> C :: 177.671 CA :: 57.657 CB :: 40.712 CG :: 26.652 CD1 :: 22.943 CD2 :: 26.317 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 :: 7.682 HA :: 3.816 HB2 :: 1.987 HB3 :: 1.334 HG :: 1.258 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.553 HD22 :: 0.553 HD23 :: 0.553 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 :: 121.228 Ave N Shift Values>> N :: 121.98(4.07) 1.D178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 L 0.08 D 0.08 I 0.07 K 0.05 N 0.01 HN Overlap>> 1.S147 1.Q174 1.S147 1.Q174 C Shift Assignments>> C :: 179.687 CA :: 57.628 CB :: 40.102 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 :: 8.797 HA :: 4.188 HB2 :: 2.583 HB3 :: 2.510 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 :: 119.395 Ave N Shift Values>> N :: 120.73(4.2) 1.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.033 CA :: 59.286 CB :: 29.218 CG :: 36.387 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 :: 7.933 HA :: 3.985 HB2 :: 2.269 HB3 :: 2.224 HG2 :: 2.490 HG3 :: 2.266 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 :: 121.839 Ave N Shift Values>> N :: 120.68(3.68) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.22 A 0.04 R 0.03 C Shift Assignments>> C :: 177.866 CA :: 57.446 CB :: 39.929 CG :: 28.458 CD1 :: 26.055 CD2 :: 21.502 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 :: 8.503 HA :: 3.317 HB2 :: 1.777 HB3 :: 0.615 HG :: 0.613 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: -0.136 HD22 :: -0.136 HD23 :: -0.136 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 :: 123.280 Ave N Shift Values>> N :: 121.98(4.07) 1.V181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.037 CA :: 68.001 CB :: 31.140 CG1 :: 23.243 CG2 :: 21.847 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 :: 8.684 HA :: 3.132 HB :: 2.124 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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 :: 119.930 Ave N Shift Values>> N :: 121.02(4.96) 1.S182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.290 CA :: 62.611 CB :: 62.615 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.805 HA :: 3.902 HB2 :: 3.849 HB3 :: 3.849 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 :: 112.691 Ave N Shift Values>> N :: 116.3(3.95) 1.F183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 177.290 CA :: 60.647 CB :: 39.221 CD1 :: 131.602 CD2 :: 131.602 CE1 :: 131.374 CE2 :: 131.374 CZ :: 130.108 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 :: 8.137 HA :: 4.095 HB2 :: 3.290 HB3 :: 3.106 HD1 :: 6.904 HD2 :: 6.904 HE1 :: 7.117 HE2 :: 7.117 HZ :: 7.344 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 :: 123.267 Ave N Shift Values>> N :: 120.69(4.18) 1.L184 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 L 0.25 A 0.19 R 0.02 C Shift Assignments>> C :: 179.140 CA :: 56.529 CB :: 41.568 CG :: 25.512 CD1 :: 25.712 CD2 :: 20.220 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 :: 8.532 HA :: 3.276 HB2 :: 1.664 HB3 :: 0.748 HG :: 1.572 HD11 :: 0.376 HD12 :: 0.376 HD13 :: 0.376 HD21 :: -0.557(S) HD22 :: -0.557(S) HD23 :: -0.557(S) 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 :: 118.253 Ave N Shift Values>> N :: 121.98(4.07) 1.L185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.31 R 0.17 G 0.01 K 0.01 C Shift Assignments>> C :: 177.294 CA :: 56.542 CB :: 42.339 CG :: 26.964 CD1 :: 27.024 CD2 :: 23.921 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 :: 8.253 HA :: 3.824 HB2 :: 1.775 HB3 :: 1.260 HG :: 1.594 HD11 :: 0.557 HD12 :: 0.557 HD13 :: 0.557 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 119.016 Ave N Shift Values>> N :: 121.98(4.07) 1.A186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 177.180 CA :: 51.443 CB :: 19.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.800 HA :: 4.210 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.634 Ave N Shift Values>> N :: 123.23(3.7) 1.L187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 A 0.01 R 0.01 C Shift Assignments>> C :: 183.360 CA :: 57.331 CB :: 41.740 CG :: 25.491 CD1 :: 24.892 CD2 :: 22.482 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 :: 6.627 HA :: 3.687 HB2 :: 1.254 HB3 :: 1.100 HG :: 1.088 HD11 :: -0.006 HD12 :: -0.006 HD13 :: -0.006 HD21 :: 0.212 HD22 :: 0.212 HD23 :: 0.212 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 :: 125.674 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 177 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 187 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 187 #Suspicious: 0 C Shift Results: #Consistent: 879 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1362 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 2 N Shift Results: #Consistent: 200 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q21 CG = 29.909(S), Expected = 33.72, Std = 1.1000, ChiSquare = 5.3113e-04 1.E24 HG2 = 1.512(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.4470e-04 1.E24 HG3 = 0.945(A), Expected = 2.31, Std = 0.2100, ChiSquare = 8.0320e-11 1.F28 H = 11.077(S), Expected = 8.42, Std = 0.7400, ChiSquare = 3.2999e-04 1.E44 HB3 = 1.120(S), Expected = 2.04, Std = 0.2300, ChiSquare = 6.3342e-05 1.N56 HB3 = 1.354(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.7394e-05 1.K81 HG3 = 0.295(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.0981e-04 1.I92 HG21 = -0.447(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7080e-05 1.I92 HG22 = -0.447(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7080e-05 1.I92 HG23 = -0.447(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7080e-05 1.Q140 HE22 = 9.139(A), Expected = 7.07, Std = 0.4900, ChiSquare = 2.4166e-05 1.Q174 HE22 = 5.147(S), Expected = 7.07, Std = 0.4900, ChiSquare = 8.6914e-05 1.L184 HD21 = -0.557(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5565e-06 1.L184 HD22 = -0.557(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5565e-06 1.L184 HD23 = -0.557(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5565e-06