Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.64 A 0.33 I 0.02 C Shift Assignments>> C :: 173.030 CA :: 55.023 CB :: 34.897 CG :: 30.943 CE :: 17.13 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.437 HB2 :: 2.270 HB3 :: 2.150 HG2 :: 2.650 HG3 :: 2.509 HE1 :: 2.053 HE2 :: 2.053 HE3 :: 2.053 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 176.053 CA :: 60.283 CB :: 71.655 CG2 :: 21.730 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 :: 8.868 HA :: 4.792 HB :: 4.902 HG21 :: 1.331 HG22 :: 1.331 HG23 :: 1.331 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 :: 118.580 Ave N Shift Values>> N :: 115.7(5.05) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 P 0.11 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 177.035 CA :: 47.718 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.164 HA2 :: 4.495 HA3 :: 3.579 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.522 Ave N Shift Values>> N :: 109.91(4.29) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.72 E 0.27 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 178.609 CA :: 59.215 CB :: 28.231 CG :: 33.782 CD :: 180.075 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 :: 8.642 HA :: 4.113 HB2 :: 2.158 HB3 :: 2.061 HG2 :: 2.523 HG3 :: 2.511 HE21 :: 7.624 HE22 :: 6.911 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 :: 122.601 NE2 :: 112.070 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.35 M 0.04 K 0.04 C Shift Assignments>> C :: 179.673 CA :: 59.002 CB :: 30.078 CG :: 37.228 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 :: 7.808 HA :: 4.039 HB2 :: 2.323 HB3 :: 2.001 HG2 :: 2.437 HG3 :: 2.308 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 :: 120.628 Ave N Shift Values>> N :: 120.68(3.68) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 R 0.43 A 0.03 K 0.02 C Shift Assignments>> C :: 177.310 CA :: 58.338 CB :: 41.052 CG :: 27.585 CD1 :: 21.820 CD2 :: 26.947 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 :: 8.349 HA :: 4.274 HB2 :: 2.198 HB3 :: 1.602 HG :: 1.683 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.501 Ave N Shift Values>> N :: 121.98(4.07) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 R 0.38 C Shift Assignments>> C :: 178.016 CA :: 60.186 CB :: 30.248 CG :: 26.632 CD :: 44.653 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.280 HA :: 3.963 HB2 :: 2.210 HB3 :: 2.122 HG2 :: 1.915 HG3 :: 1.883 HD2 :: 3.402 HD3 :: 3.381 HE :: 7.385 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.082 NE :: 81.572 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.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.68 E 0.31 HN Overlap>> 1.V20 1.V20 C Shift Assignments>> C :: 177.452 CA :: 58.160 CB :: 28.529 CG :: 33.663 CD :: 180.382 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 :: 8.227 HA :: 3.877 HB2 :: 2.264 HB3 :: 2.171 HG2 :: 2.556 HG3 :: 2.431 HE21 :: 7.965 HE22 :: 6.940 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 :: 116.991 NE2 :: 116.292 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.21 G 0.02 K 0.01 C Shift Assignments>> C :: 179.216 CA :: 58.170 CB :: 42.279 CG :: 27.077 CD1 :: 24.884 CD2 :: 25.884 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 :: 8.055 HA :: 4.247 HB2 :: 2.013 HB3 :: 1.907 HG :: 1.832 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 0.964 HD22 :: 0.964 HD23 :: 0.964 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 :: 119.965 Ave N Shift Values>> N :: 121.98(4.07) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.23 G 0.03 K 0.02 C Shift Assignments>> C :: 179.724 CA :: 58.602 CB :: 42.197 CG :: 26.557 CD1 :: 26.890 CD2 :: 24.176 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 :: 7.796 HA :: 4.344 HB2 :: 2.646 HB3 :: 2.259 HG :: 2.436 HD11 :: 1.310 HD12 :: 1.310 HD13 :: 1.310 HD21 :: 1.281 HD22 :: 1.281 HD23 :: 1.281 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 :: 118.160 Ave N Shift Values>> N :: 121.98(4.07) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.17 G 0.04 C Shift Assignments>> C :: 180.675 CA :: 58.154 CB :: 42.510 CG :: 26.851 CD1 :: 25.670 CD2 :: 22.674 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 :: 8.459 HA :: 3.716 HB2 :: 1.885 HB3 :: 1.342 HG :: 1.629 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.614 HD22 :: 0.614 HD23 :: 0.614 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 :: 120.064 Ave N Shift Values>> N :: 121.98(4.07) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 D 0.14 L 0.12 K 0.08 I 0.05 N 0.03 HN Overlap>> 1.F22 1.F22 C Shift Assignments>> C :: 177.802 CA :: 56.997 CB :: 40.189 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 :: 9.194 HA :: 4.278 HB2 :: 2.855 HB3 :: 2.620 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 :: 120.789 Ave N Shift Values>> N :: 120.73(4.2) 1.K13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.59 K 0.16 M 0.11 G 0.09 A 0.02 C Shift Assignments>> C :: 178.050 CA :: 57.219 CB :: 32.924 CG :: 21.956 CD :: 28.195 CE :: 43.133 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 :: 7.918 HA :: 4.072 HB2 :: 1.340 HB3 :: 1.332 HG2 :: -0.373(S) HG3 :: -0.737(S) HD2 :: 1.557 HD3 :: 1.025 HE2 :: 2.846 HE3 :: 2.739 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.390 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.473 CA :: 59.186 CB :: 33.422 CD1 :: 126.471 CE3 :: 120.113 CZ2 :: 114.771 CZ3 :: 121.894 CH2 :: 122.697 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.456 HA :: 5.246 HB2 :: 3.844 HB3 :: 3.628 HD1 :: 7.550 HE1 :: 10.679 HE3 :: 7.946 HZ2 :: 7.679 HZ3 :: 7.171 HH2 :: 7.029 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.310 NE1 :: 131.344 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 171.990 CA :: 45.603 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.361 HA2 :: 3.939 HA3 :: 3.802 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.454 Ave N Shift Values>> N :: 109.91(4.29) 1.Y16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.96 G 0.03 C Shift Assignments>> C :: 173.689 CA :: 56.037 CB :: 42.114 CD1 :: 133.545 CD2 :: 133.545 CE1 :: 116.774 CE2 :: 116.774 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.787 HA :: 4.438 HB2 :: 1.925 HB3 :: 0.965(S) HD1 :: 6.499 HD2 :: 6.499 HE1 :: 6.603 HE2 :: 6.603 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.220 Ave N Shift Values>> N :: 120.79(4.69) 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 :: 175.108 CA :: 55.846 CB :: 60.534 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.079 HA :: 4.517 HB2 :: 3.954 HB3 :: 3.759 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 :: 119.688 Ave N Shift Values>> N :: 116.3(3.95) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.658 CA :: 59.027 CB :: 40.840 CD1 :: 134.245 CD2 :: 134.245 CE1 :: 117.204 CE2 :: 117.204 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.788 HA :: 4.738 HB2 :: 3.834 HB3 :: 2.409 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 6.581 HE2 :: 6.581 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.931 Ave N Shift Values>> N :: 120.79(4.69) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.25 K 0.17 F 0.07 R 0.07 N 0.07 Y 0.06 C Shift Assignments>> C :: 175.276 CA :: 54.264 CB :: 41.665 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 :: 8.431 HA :: 5.237 HB2 :: 2.764 HB3 :: 2.491 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 :: 118.783 Ave N Shift Values>> N :: 120.73(4.2) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 I 0.05 A 0.04 HN Overlap>> 1.Q8 1.Q8 C Shift Assignments>> C :: 174.703 CA :: 58.815 CB :: 35.563 CG1 :: 23.074 CG2 :: 20.910 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.149 HA :: 5.460 HB :: 1.780 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 116.951 Ave N Shift Values>> N :: 121.02(4.96) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.73 E 0.25 HN Overlap>> 1.Q51 1.Q51 C Shift Assignments>> C :: 175.107 CA :: 53.852 CB :: 33.196 CG :: 32.782 CD :: 180.046 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 :: 8.892 HA :: 4.839 HB2 :: 2.314 HB3 :: 1.742 HG2 :: 2.314 HG3 :: 2.232 HE21 :: 8.128 HE22 :: 6.685 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 :: 120.143 NE2 :: 113.115 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 176.191 CA :: 58.758 CB :: 41.536 CD1 :: 132.162 CD2 :: 132.162 CE1 :: 131.21 CE2 :: 131.21 CZ :: 129.12 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.205 HA :: 5.384 HB2 :: 2.950 HB3 :: 2.932 HD1 :: 7.271 HD2 :: 7.271 HE1 :: 7.217 HE2 :: 7.217 HZ :: 7.250 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 :: 120.890 Ave N Shift Values>> N :: 120.69(4.18) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.39 G 0.17 C Shift Assignments>> C :: 173.867 CA :: 55.042 CB :: 34.197 CG :: 27.439 CD :: 43.242 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.237 HA :: 4.721 HB2 :: 1.635 HB3 :: 1.600 HG2 :: 1.575 HG3 :: 1.367 HD2 :: 3.089 HD3 :: 3.083 HE :: 6.909 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.706 NE :: 83.973 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.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.24 G 0.15 C Shift Assignments>> C :: 175.994 CA :: 54.847 CB :: 32.165 CG :: 27.750 CD :: 43.529 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.876 HA :: 5.460 HB2 :: 1.857 HB3 :: 1.565 HG2 :: 1.467 HG3 :: 1.467 HD2 :: 3.029 HD3 :: 3.029 HE :: 7.318 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 :: 126.191 NE :: 84.672 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.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.708 CA :: 61.085 CB :: 70.289 CG2 :: 20.869 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 :: 8.810 HA :: 4.664 HB :: 4.167 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 120.040 Ave N Shift Values>> N :: 115.7(5.05) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 E 0.4 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 176.038 CA :: 57.211 CB :: 27.231 CG :: 34.305 CD :: 181.058 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 :: 9.322 HA :: 4.013 HB2 :: 2.366 HB3 :: 2.209 HG2 :: 2.480 HG3 :: 2.480 HE21 :: 7.610 HE22 :: 6.942 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.902 NE2 :: 112.422 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 173.758 CA :: 45.736 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.700 HA2 :: 4.142 HA3 :: 3.741 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.053 Ave N Shift Values>> N :: 109.91(4.29) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 G 0.02 M 0.02 C Shift Assignments>> C :: 174.685 CA :: 54.918 CB :: 35.575 CG :: 24.930 CD :: 29.071 CE :: 42.270 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 :: 8.028 HA :: 4.637 HB2 :: 1.886 HB3 :: 1.702 HG2 :: 1.437 HG3 :: 1.347 HD2 :: 1.716 HD3 :: 1.716 HE2 :: 3.038 HE3 :: 3.038 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 :: 121.568 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L54 1.L54 C Shift Assignments>> C :: 173.610 CA :: 60.253 CB :: 39.993 CG1 :: 28.495 CG2 :: 17.839 CD1 :: 13.456 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 :: 8.684 HA :: 4.912 HB :: 1.669 HG12 :: 1.564 HG13 :: 1.028 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 121.320 Ave N Shift Values>> N :: 121.6(4.72) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.92 G 0.07 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 175.779 CA :: 55.443 CB :: 42.605 CD1 :: 131.959 CD2 :: 131.959 CE1 :: 131.603 CE2 :: 131.624 CZ :: 129.897 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.107 HA :: 5.289 HB2 :: 2.719 HB3 :: 2.692 HD1 :: 6.931 HD2 :: 6.931 HE1 :: 7.328 HE2 :: 7.331 HZ :: 7.323 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.159 Ave N Shift Values>> N :: 120.69(4.18) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.29 R 0.16 A 0.02 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 174.850 CA :: 54.066 CB :: 44.062 CG :: 27.483 CD1 :: 23.731 CD2 :: 26.107 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.024 HA :: 4.666 HB2 :: 1.793 HB3 :: 1.129 HG :: 1.203 HD11 :: 0.179 HD12 :: 0.179 HD13 :: 0.179 HD21 :: 0.657 HD22 :: 0.657 HD23 :: 0.657 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 :: 123.137 Ave N Shift Values>> N :: 121.98(4.07) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.55 E 0.39 N 0.03 HN Overlap>> 1.Q26 1.V33 1.Q26 1.V33 C Shift Assignments>> C :: 175.022 CA :: 54.189 CB :: 31.762 CG :: 34.919 CD :: 179.505 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 :: 9.362 HA :: 5.357 HB2 :: 2.065 HB3 :: 1.654 HG2 :: 2.179 HG3 :: 2.018 HE21 :: 6.871 HE22 :: 6.936 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 :: 124.830 NE2 :: 110.245 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 175.691 CA :: 62.462 CB :: 31.455 CG1 :: 22.562 CG2 :: 19.403 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.343 HA :: 4.332 HB :: 1.897 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.995 HG22 :: 0.995 HG23 :: 0.995 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 :: 124.724 Ave N Shift Values>> N :: 121.02(4.96) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.27 C Shift Assignments>> C :: 172.280 CA :: 52.878 CB :: 31.564 CG :: 31.160 CE :: 15.690 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 :: 8.434 HA :: 4.351 HB2 :: 1.943 HB3 :: 1.878 HG2 :: 2.480 HG3 :: 2.158 HE1 :: 1.492 HE2 :: 1.492 HE3 :: 1.492 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 :: 123.392 Ave N Shift Values>> N :: 120.1(3.88) 1.W35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.83 H 0.16 C Shift Assignments>> C :: 176.299 CA :: 58.380 CB :: 27.746 CD1 :: 128.056 CE3 :: 120.398 CZ2 :: 115.461 CZ3 :: 123.581 CH2 :: 125.449 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 6.072 HA :: 4.563 HB2 :: 3.318 HB3 :: 2.850 HD1 :: 7.372 HE1 :: 10.959 HE3 :: 7.406 HZ2 :: 7.685 HZ3 :: 7.219 HH2 :: 7.375 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 108.592 NE1 :: 133.333 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.02 G 0.01 C Shift Assignments>> C :: 175.230 CA :: 56.008 CB :: 33.690 CG :: 25.519 CD :: 29.314 CE :: 42.041 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.647 HA :: 4.815 HB2 :: 1.917 HB3 :: 1.675 HG2 :: 1.365 HG3 :: 1.078 HD2 :: 1.555 HD3 :: 1.555 HE2 :: 2.951 HE3 :: 2.881 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 :: 122.576 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.262 CA :: 54.273 CB :: 40.779 CD1 :: 135.036 CD2 :: 135.036 CE1 :: 117.799 CE2 :: 117.799 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 :: 7.767 HA :: 4.768 HB2 :: 2.355 HB3 :: 2.332 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 6.416 HE2 :: 6.416 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 :: 116.891 Ave N Shift Values>> N :: 120.79(4.69) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.72 R 0.18 G 0.08 C Shift Assignments>> C :: 175.709 CA :: 56.532 CB :: 42.941 CG :: 26.494 CD1 :: 23.747 CD2 :: 26.362 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 :: 7.054 HA :: 2.674(S) HB2 :: 1.056 HB3 :: 0.106(S) HG :: 1.313 HD11 :: 0.656 HD12 :: 0.656 HD13 :: 0.656 HD21 :: 0.654 HD22 :: 0.654 HD23 :: 0.654 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 :: 120.744 Ave N Shift Values>> N :: 121.98(4.07) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 E 0.29 K 0.05 L 0.01 C Shift Assignments>> C :: 177.130 CA :: 58.919 CB :: 27.127 CG :: 37.052 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 :: 8.915 HA :: 3.998 HB2 :: 2.341 HB3 :: 2.230 HG2 :: 2.802 HG3 :: 2.224 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 :: 111.427 Ave N Shift Values>> N :: 120.68(3.68) 1.Q40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.3 E 0.24 M 0.21 K 0.2 R 0.01 C Shift Assignments>> C :: 176.971 CA :: 56.239 CB :: 30.305 CG :: 34.354 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 :: 7.770 HA :: 4.048 HB2 :: 1.822 HB3 :: 1.729 HG2 :: 1.824 HG3 :: 1.023(S) HE21 :: 7.387 HE22 :: 6.728 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.295 NE2 :: 112.397 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 178.615 CA :: 54.521 CB :: 18.294 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.721 HA :: 4.197 HB1 :: 1.493 HB2 :: 1.493 HB3 :: 1.493 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.465 Ave N Shift Values>> N :: 123.23(3.7) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.383 CA :: 57.569 CB :: 63.341 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.918 HA :: 4.344 HB2 :: 4.067 HB3 :: 3.860 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 :: 108.635 Ave N Shift Values>> N :: 116.3(3.95) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.825 CA :: 57.348 CB :: 40.182 CD1 :: 133.371 CD2 :: 133.371 CE1 :: 130.641 CE2 :: 130.641 CZ :: 129.034 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 :: 7.940 HA :: 4.639 HB2 :: 3.385 HB3 :: 3.090 HD1 :: 7.532 HD2 :: 7.532 HE1 :: 7.146 HE2 :: 7.146 HZ :: 7.192 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 :: 127.664 Ave N Shift Values>> N :: 120.69(4.18) 1.P44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.749 CA :: 64.669 CB :: 31.584 CG :: 26.957 CD :: 50.508 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 :: 4.413 HB2 :: 2.015 HB3 :: 1.953 HG2 :: 1.745 HG3 :: 1.281 HD2 :: 3.443 HD3 :: 2.254(S) 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.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 I 0.02 C Shift Assignments>> C :: 174.999 CA :: 54.675 CB :: 37.771 CG :: 32.864 CE :: 18.11 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 :: 6.706 HA :: 4.812 HB2 :: 2.397 HB3 :: 1.998 HG2 :: 2.494 HG3 :: 2.150 HE1 :: 1.919 HE2 :: 1.919 HE3 :: 1.919 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 :: 116.826 Ave N Shift Values>> N :: 120.1(3.88) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.83 D 0.16 C Shift Assignments>> C :: 175.481 CA :: 51.386 CB :: 38.736 CG :: 175.892 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 :: 8.578 HA :: 4.911 HB2 :: 3.427 HB3 :: 2.986 HD21 :: 7.587 HD22 :: 6.981 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 :: 117.943 ND2 :: 111.600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 E 0.39 K 0.1 Q 0.05 M 0.02 HN Overlap>> 1.T2 1.T2 C Shift Assignments>> C :: 177.799 CA :: 60.742 CB :: 29.326 CG :: 35.800 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 :: 8.861 HA :: 4.088 HB2 :: 2.233 HB3 :: 2.204 HG2 :: 2.500 HG3 :: 2.347 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 :: 118.568 Ave N Shift Values>> N :: 120.68(3.68) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.800 CB :: 68.699 CG2 :: 21.945 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 :: 8.083 HA :: 4.113 HB :: 4.294 HG21 :: 1.333 HG22 :: 1.333 HG23 :: 1.333 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 :: 115.923 Ave N Shift Values>> N :: 115.7(5.05) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.21 K 0.1 M 0.07 Q 0.05 HN Overlap>> 1.Q4 1.Q4 C Shift Assignments>> C :: 179.714 CA :: 59.066 CB :: 30.020 CG :: 36.160 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 :: 8.648 HA :: 4.153 HB2 :: 2.346 HB3 :: 2.050 HG2 :: 2.632 HG3 :: 2.403 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 :: 122.600 Ave N Shift Values>> N :: 120.68(3.68) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.23 Y 0.18 C Shift Assignments>> C :: 177.078 CA :: 62.141 CB :: 39.681 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 :: 9.082 HA :: 4.520 HB2 :: 3.286 HB3 :: 3.179 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 6.569 HE2 :: 6.569 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 :: 122.356 Ave N Shift Values>> N :: 120.79(4.69) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.66 E 0.33 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 178.739 CA :: 58.943 CB :: 28.581 CG :: 34.233 CD :: 179.800 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 :: 8.937 HA :: 3.830 HB2 :: 2.443 HB3 :: 2.318 HG2 :: 2.606 HG3 :: 2.504 HE21 :: 7.760 HE22 :: 6.000 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 :: 120.083 NE2 :: 112.049 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.31 K 0.14 Q 0.06 M 0.01 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 179.687 CA :: 59.640 CB :: 28.895 CG :: 35.966 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 :: 8.480 HA :: 4.227 HB2 :: 2.339 HB3 :: 2.229 HG2 :: 2.710 HG3 :: 2.482 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 :: 119.662 Ave N Shift Values>> N :: 120.68(3.68) 1.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 H 0.46 C Shift Assignments>> C :: 177.012 CA :: 58.679 CB :: 27.843 CD2 :: 119.98 CE1 :: 137.23 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 :: 8.369 HA :: 4.739 HB2 :: 3.684 HB3 :: 3.431 HD2 :: 7.308 HE1 :: 8.797 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.858 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.19 V 0.01 A 0.01 K 0.01 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 179.347 CA :: 58.465 CB :: 40.804 CG :: 28.215 CD1 :: 25.691 CD2 :: 22.274 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 :: 8.592 HA :: 3.667 HB2 :: 1.785 HB3 :: 1.440 HG :: 1.299 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.711 HD22 :: 0.711 HD23 :: 0.711 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 :: 121.305 Ave N Shift Values>> N :: 121.98(4.07) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.1 D 0.09 L 0.08 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 178.862 CA :: 57.637 CB :: 39.758 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 :: 8.806 HA :: 4.374 HB2 :: 3.057 HB3 :: 2.775 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 :: 120.419 Ave N Shift Values>> N :: 120.73(4.2) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.564 CA :: 61.887 CB :: 62.909 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.044 HA :: 4.389 HB2 :: 4.233 HB3 :: 4.219 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 :: 116.725 Ave N Shift Values>> N :: 116.3(3.95) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.976 CA :: 66.954 CB :: 31.704 CG1 :: 21.227 CG2 :: 21.996 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 :: 8.400 HA :: 3.890 HB :: 2.044 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 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 :: 123.164 Ave N Shift Values>> N :: 121.02(4.96) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.22 I 0.08 C Shift Assignments>> C :: 180.095 CA :: 55.828 CB :: 17.472 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.979 HA :: 3.986 HB1 :: 1.477 HB2 :: 1.477 HB3 :: 1.477 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.989 Ave N Shift Values>> N :: 123.23(3.7) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.29 E 0.01 C Shift Assignments>> C :: 178.741 CA :: 56.467 CB :: 38.161 CG :: 176.111 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 :: 8.568 HA :: 4.700 HB2 :: 3.117 HB3 :: 2.997 HD21 :: 7.700 HD22 :: 7.078 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 :: 118.398 ND2 :: 112.881 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.217 CA :: 61.258 CB :: 38.094 CD1 :: 132.599 CD2 :: 132.599 CE1 :: 117.926 CE2 :: 117.926 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 :: 8.554 HA :: 4.465 HB2 :: 3.357 HB3 :: 3.003 HD1 :: 6.816 HD2 :: 6.816 HE1 :: 6.463 HE2 :: 6.463 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 :: 123.743 Ave N Shift Values>> N :: 120.79(4.69) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.16 G 0.02 C Shift Assignments>> C :: 179.730 CA :: 58.093 CB :: 42.195 CG :: 26.735 CD1 :: 26.146 CD2 :: 23.835 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 :: 8.968 HA :: 4.039 HB2 :: 2.294 HB3 :: 1.280 HG :: 2.245 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.283 Ave N Shift Values>> N :: 121.98(4.07) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 H 0.42 C Shift Assignments>> C :: 177.756 CA :: 59.190 CB :: 28.901 CD2 :: 120.56 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 :: 8.477 HA :: 4.599 HB2 :: 3.632 HB3 :: 3.539 HD2 :: 7.401 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.187 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.03 C Shift Assignments>> C :: 179.371 CA :: 55.013 CB :: 18.294 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.108 HA :: 4.077 HB1 :: 1.515 HB2 :: 1.515 HB3 :: 1.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.699 Ave N Shift Values>> N :: 123.23(3.7) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.1 A 0.07 G 0.06 C Shift Assignments>> C :: 177.162 CA :: 54.937 CB :: 42.890 CG :: 26.516 CD1 :: 25.670 CD2 :: 22.659 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 :: 7.970 HA :: 4.166 HB2 :: 1.564 HB3 :: 1.546 HG :: 1.470 HD11 :: 0.463 HD12 :: 0.463 HD13 :: 0.463 HD21 :: 0.605 HD22 :: 0.605 HD23 :: 0.605 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.631 Ave N Shift Values>> N :: 121.98(4.07) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 176.309 CA :: 46.335 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.700 HA2 :: 4.171 HA3 :: 4.110 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.086 Ave N Shift Values>> N :: 109.91(4.29) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 173.934 CA :: 45.651 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.438 HA2 :: 4.596 HA3 :: 3.497 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.046 Ave N Shift Values>> N :: 109.91(4.29) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.18 I 0.07 V 0.06 T 0.03 L 0.01 C Shift Assignments>> C :: 179.213 CA :: 56.635 CB :: 19.299 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.258 HA :: 3.941 HB1 :: 1.601 HB2 :: 1.601 HB3 :: 1.601 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.784 Ave N Shift Values>> N :: 123.23(3.7) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.984 CA :: 66.800 CB :: 31.330 CG1 :: 21.109 CG2 :: 22.913 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 :: 8.366 HA :: 3.748 HB :: 2.187 HG11 :: 1.021 HG12 :: 1.021 HG13 :: 1.021 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 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 :: 118.458 Ave N Shift Values>> N :: 121.02(4.96) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.6 E 0.39 HN Overlap>> 1.F73 1.F73 C Shift Assignments>> C :: 179.208 CA :: 59.476 CB :: 28.856 CG :: 34.336 CD :: 180.041 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 :: 8.247 HA :: 4.208 HB2 :: 2.223 HB3 :: 2.223 HG2 :: 2.605 HG3 :: 2.547 HE21 :: 7.550 HE22 :: 7.375 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.578 NE2 :: 111.064 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.651 CA :: 67.193 CB :: 31.793 CG1 :: 21.005 CG2 :: 25.029 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 :: 7.760 HA :: 3.735 HB :: 2.197 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 119.579 Ave N Shift Values>> N :: 121.02(4.96) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.02 G 0.02 C Shift Assignments>> C :: 179.441 CA :: 60.653 CB :: 32.581 CG :: 25.354 CD :: 29.809 CE :: 42.047 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 :: 8.197 HA :: 3.936 HB2 :: 2.077 HB3 :: 1.880 HG2 :: 1.531 HG3 :: 1.455 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 2.980 HE3 :: 2.980 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 :: 119.844 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.404 CA :: 66.819 CB :: 69.091 CG2 :: 21.491 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 :: 8.899 HA :: 3.899 HB :: 4.287 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 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 :: 116.885 Ave N Shift Values>> N :: 115.7(5.05) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.Q69 1.Q69 C Shift Assignments>> C :: 178.794 CA :: 61.893 CB :: 39.897 CD1 :: 132.339 CD2 :: 132.339 CE1 :: 131.212 CE2 :: 131.212 CZ :: 131.283 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 :: 8.241 HA :: 4.143 HB2 :: 3.358 HB3 :: 3.310 HD1 :: 7.222 HD2 :: 7.222 HE1 :: 7.217 HE2 :: 7.217 HZ :: 7.411 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 :: 121.628 Ave N Shift Values>> N :: 120.69(4.18) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.980 CA :: 66.113 CB :: 37.831 CG1 :: 30.962 CG2 :: 16.561 CD1 :: 13.346 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 :: 8.713 HA :: 3.616 HB :: 1.933 HG12 :: 2.275 HG13 :: 1.205 HG21 :: 0.529 HG22 :: 0.529 HG23 :: 0.529 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 117.876 Ave N Shift Values>> N :: 121.6(4.72) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.844 CA :: 67.170 CB :: 69.021 CG2 :: 21.235 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 :: 8.080 HA :: 3.831 HB :: 4.355 HG21 :: 1.282 HG22 :: 1.282 HG23 :: 1.282 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.229 Ave N Shift Values>> N :: 115.7(5.05) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.63 E 0.36 C Shift Assignments>> C :: 177.925 CA :: 57.269 CB :: 29.678 CG :: 33.829 CD :: 180.274 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 :: 7.675 HA :: 4.248 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.613 HG3 :: 2.438 HE21 :: 7.292 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 :: 117.197 NE2 :: 111.282 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.102 CA :: 63.875 CB :: 67.907 CG2 :: 20.562 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 :: 7.947 HA :: 4.018 HB :: 3.830 HG21 :: 1.597 HG22 :: 1.597 HG23 :: 1.597 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 :: 115.376 Ave N Shift Values>> N :: 115.7(5.05) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.35 M 0.03 G 0.02 C Shift Assignments>> C :: 177.786 CA :: 55.962 CB :: 32.596 CG :: 25.283 CD :: 28.965 CE :: 42.390 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 :: 8.883 HA :: 4.754 HB2 :: 2.183 HB3 :: 1.811 HG2 :: 1.612 HG3 :: 1.559 HD2 :: 1.794 HD3 :: 1.765 HE2 :: 3.097 HE3 :: 3.097 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.472 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.39 I 0.03 Q 0.02 K 0.01 C Shift Assignments>> C :: 175.357 CA :: 56.505 CB :: 32.296 CG :: 36.432 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 :: 8.819 HA :: 4.455 HB2 :: 2.237 HB3 :: 2.188 HG2 :: 2.484 HG3 :: 2.368 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 :: 122.096 Ave N Shift Values>> N :: 120.68(3.68) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 R 0.4 K 0.12 C Shift Assignments>> C :: 173.162 CA :: 53.532 CB :: 33.614 CG :: 26.651 CD :: 43.806 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.091 HA :: 4.472 HB2 :: 1.851 HB3 :: 1.773 HG2 :: 1.747 HG3 :: 1.363 HD2 :: 3.376 HD3 :: 3.322 HE :: 7.557 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 :: 117.560 NE :: 85.211 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.P81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.287 CA :: 63.315 CB :: 32.873 CG :: 27.276 CD :: 49.527 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 :: 4.256 HB2 :: 1.809 HB3 :: 1.161 HG2 :: 0.594(S) HG3 :: 0.359(S) HD2 :: 2.348(S) HD3 :: 1.815(S) 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.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 G 0.33 K 0.21 C Shift Assignments>> C :: 174.486 CA :: 54.143 CB :: 33.770 CG :: 26.596 CD :: 43.620 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.181 HA :: 4.639 HB2 :: 1.927 HB3 :: 1.636 HG2 :: 1.673 HG3 :: 1.453 HD2 :: 3.205 HD3 :: 3.157 HE :: 7.273 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.596 NE :: 85.511 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.L83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.93 R 0.05 C Shift Assignments>> C :: 177.499 CA :: 57.359 CB :: 41.124 CG :: 26.934 CD1 :: 24.053 CD2 :: 25.161 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 :: 8.310 HA :: 2.399(S) HB2 :: 1.383 HB3 :: 1.271 HG :: 1.196 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.654 Ave N Shift Values>> N :: 121.98(4.07) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 172.917 CA :: 45.701 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.723 HA3 :: 2.738 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.25 M 0.04 G 0.02 C Shift Assignments>> C :: 174.456 CA :: 55.545 CB :: 33.594 CG :: 24.548 CD :: 29.051 CE :: 42.426 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 :: 8.359 HA :: 4.580 HB2 :: 1.678 HB3 :: 1.409 HG2 :: 1.303 HG3 :: 1.303 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 3.033 HE3 :: 3.033 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 :: 124.608 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 L 0.04 C Shift Assignments>> C :: 178.127 CA :: 52.238 CB :: 20.411 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.901 HA :: 4.645 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.770 Ave N Shift Values>> N :: 123.23(3.7) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.393 CA :: 62.764 CB :: 32.730 CG1 :: 21.301 CG2 :: 21.361 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 :: 8.420 HA :: 4.181 HB :: 1.869 HG11 :: 1.192 HG12 :: 1.192 HG13 :: 1.192 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 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 :: 121.027 Ave N Shift Values>> N :: 121.02(4.96) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.600 CA :: 58.030 CB :: 63.930 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.012 HA :: 4.783 HB2 :: 3.585 HB3 :: 3.534 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 :: 124.642 Ave N Shift Values>> N :: 116.3(3.95) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.698 CA :: 58.727 CB :: 38.990 CG1 :: 25.697 CG2 :: 15.943 CD1 :: 14.930 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 :: 9.224 HA :: 3.751 HB :: 2.034 HG12 :: 1.427 HG13 :: 0.133 HG21 :: 0.535 HG22 :: 0.535 HG23 :: 0.535 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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 :: 127.437 Ave N Shift Values>> N :: 121.6(4.72) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.258 CA :: 62.671 CB :: 31.833 CG :: 27.270 CD :: 51.203 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 :: 4.142 HB2 :: 2.090 HB3 :: 1.858 HG2 :: 2.288 HG3 :: 2.146 HD2 :: 4.044 HD3 :: 3.619 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.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.14 G 0.09 A 0.02 C Shift Assignments>> C :: 176.029 CA :: 53.342 CB :: 42.918 CG :: 26.712 CD1 :: 26.904 CD2 :: 23.935 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 :: 7.833 HA :: 4.650 HB2 :: 1.703 HB3 :: 1.099 HG :: 1.736 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 121.659 Ave N Shift Values>> N :: 121.98(4.07) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.2 L 0.17 F 0.08 K 0.07 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.229 CA :: 53.574 CB :: 40.715 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 :: 9.201 HA :: 4.772 HB2 :: 2.843 HB3 :: 2.598 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 :: 123.631 Ave N Shift Values>> N :: 120.73(4.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.14 A 0.05 G 0.05 C Shift Assignments>> C :: 177.875 CA :: 54.314 CB :: 42.700 CG :: 26.935 CD1 :: 26.120 CD2 :: 23.039 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 :: 8.402 HA :: 4.518 HB2 :: 1.662 HB3 :: 1.647 HG :: 1.591 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 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 :: 123.921 Ave N Shift Values>> N :: 121.98(4.07) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 175.272 CA :: 45.741 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.508 HA2 :: 4.025 HA3 :: 4.025 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.050 Ave N Shift Values>> N :: 109.91(4.29) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 K 0.19 Q 0.13 I 0.1 M 0.07 C Shift Assignments>> C :: 177.457 CA :: 57.677 CB :: 29.542 CG :: 35.788 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 :: 8.799 HA :: 4.291 HB2 :: 2.179 HB3 :: 2.060 HG2 :: 2.396 HG3 :: 2.369 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 :: 122.318 Ave N Shift Values>> N :: 120.68(3.68) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.14 G 0.11 L 0.03 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 176.869 CA :: 56.813 CB :: 30.070 CG :: 27.326 CD :: 43.377 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.376 HA :: 4.360 HB2 :: 1.979 HB3 :: 1.893 HG2 :: 1.753 HG3 :: 1.684 HD2 :: 3.243 HD3 :: 3.237 HE :: 7.299 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.696 NE :: 84.663 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.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.36 L 0.01 C Shift Assignments>> C :: 178.533 CA :: 53.957 CB :: 19.186 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.009 HA :: 4.164 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.078 Ave N Shift Values>> N :: 123.23(3.7) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.279 CA :: 59.842 CB :: 63.354 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.176 HA :: 4.306 HB2 :: 3.955 HB3 :: 3.880 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 :: 113.287 Ave N Shift Values>> N :: 116.3(3.95) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.2 Q 0.16 M 0.08 I 0.07 C Shift Assignments>> C :: 176.705 CA :: 57.377 CB :: 29.582 CG :: 35.605 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 :: 8.189 HA :: 4.201 HB2 :: 2.047 HB3 :: 2.032 HG2 :: 2.303 HG3 :: 2.252 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 :: 121.294 Ave N Shift Values>> N :: 120.68(3.68) 1.W100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 176.471 CA :: 58.335 CB :: 29.300 CD1 :: 126.807 CE3 :: 120.548 CZ2 :: 114.512 CZ3 :: 121.700 CH2 :: 124.400 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.883 HA :: 4.503 HB2 :: 3.269 HB3 :: 3.208 HD1 :: 7.174 HE1 :: 10.009 HE3 :: 7.436 HZ2 :: 7.346 HZ3 :: 6.866 HH2 :: 7.004 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.148 NE1 :: 129.001 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.278 CA :: 62.174 CB :: 38.466 CG1 :: 27.815 CG2 :: 17.340 CD1 :: 13.189 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 :: 7.646 HA :: 3.862 HB :: 1.728 HG12 :: 1.335 HG13 :: 1.022 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 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 :: 120.500 Ave N Shift Values>> N :: 121.6(4.72) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.742 CA :: 61.991 CB :: 38.131 CG1 :: 27.735 CG2 :: 17.522 CD1 :: 12.867 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 :: 7.733 HA :: 3.946 HB :: 1.843 HG12 :: 1.461 HG13 :: 1.124 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 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 :: 122.769 Ave N Shift Values>> N :: 121.6(4.72) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.09 A 0.02 G 0.02 C Shift Assignments>> C :: 177.679 CA :: 55.680 CB :: 42.215 CG :: 26.828 CD1 :: 25.078 CD2 :: 23.275 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 :: 8.026 HA :: 4.198 HB2 :: 1.593 HB3 :: 1.396 HG :: 1.554 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.478 Ave N Shift Values>> N :: 121.98(4.07) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.15 M 0.15 Q 0.12 I 0.06 C Shift Assignments>> C :: 176.656 CA :: 56.901 CB :: 30.152 CG :: 35.879 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 :: 8.132 HA :: 4.170 HB2 :: 1.922 HB3 :: 1.867 HG2 :: 2.177 HG3 :: 2.115 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 :: 120.470 Ave N Shift Values>> N :: 120.68(3.68) 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 104 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 500 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 778 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K13 HG2 = -0.373(S), Expected = 1.38, Std = 0.2700, ChiSquare = 8.4372e-11 1.K13 HG3 = -0.737(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.7161e-13 1.Y16 HB3 = 0.965(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.4662e-07 1.L38 HA = 2.674(S), Expected = 4.32, Std = 0.4700, ChiSquare = 4.6156e-04 1.L38 HB3 = 0.106(S), Expected = 1.57, Std = 0.3600, ChiSquare = 4.7690e-05 1.Q40 HG3 = 1.023(S), Expected = 2.32, Std = 0.2900, ChiSquare = 7.7342e-06 1.P44 HD3 = 2.254(S), Expected = 3.63, Std = 0.4000, ChiSquare = 5.8171e-04 1.P81 HG2 = 0.594(S), Expected = 1.93, Std = 0.3600, ChiSquare = 2.0635e-04 1.P81 HG3 = 0.359(S), Expected = 1.92, Std = 0.3700, ChiSquare = 2.4548e-05 1.P81 HD2 = 2.348(S), Expected = 3.64, Std = 0.3600, ChiSquare = 3.3209e-04 1.P81 HD3 = 1.815(S), Expected = 3.63, Std = 0.4000, ChiSquare = 5.6925e-06 1.L83 HA = 2.399(S), Expected = 4.32, Std = 0.4700, ChiSquare = 4.3655e-05