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>> C 0.41 M 0.41 A 0.17 C Shift Assignments>> CA :: 55.182 CB :: 31.021 CG :: 33.341 CE :: 16.846 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 :: 4.190 HB2 :: 2.657 HB3 :: 2.657 HG2 :: 2.194 HG3 :: 2.194 HE1 :: 2.125 HE2 :: 2.125 HE3 :: 2.125 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: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.411 CA :: 61.818 CB :: 70.142 CG2 :: 22.009 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 :: 4.572 HB :: 4.259 HG21 :: 1.327 HG22 :: 1.327 HG23 :: 1.327 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.S3 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 :: 174.937 CA :: 58.122 CB :: 65.053 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.133 HA :: 4.748 HB2 :: 4.399 HB3 :: 4.151 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 :: 120.759 Ave N Shift Values>> N :: 116.3(3.95) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.238 CA :: 67.564 CB :: 67.526 CG2 :: 22.886 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 :: 8.914 HA :: 4.232 HB :: 4.025 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 :: 120.456 Ave N Shift Values>> N :: 115.7(5.05) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 174.955 CA :: 62.704 CB :: 38.669 CD1 :: 131.740 CD2 :: 131.740 CE1 :: 130.986 CE2 :: 130.986 CZ :: 128.681 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 :: 9.106 HA :: 3.791 HB2 :: 3.171 HB3 :: 2.907 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 7.170 HE2 :: 7.170 HZ :: 6.872 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 :: 121.110 Ave N Shift Values>> N :: 120.69(4.18) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.22 Y 0.18 C 0.15 K 0.14 L 0.11 D 0.07 I 0.05 R 0.02 C Shift Assignments>> C :: 179.253 CA :: 57.848 CB :: 40.855 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>> HA :: 3.831 HB2 :: 2.851 HB3 :: 2.646 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 G 0.11 K 0.06 C Shift Assignments>> C :: 179.419 CA :: 59.316 CB :: 31.146 CG :: 27.130 CD :: 43.632 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 :: 8.037 HA :: 4.051 HB2 :: 2.154 HB3 :: 2.021 HG2 :: 1.917 HG3 :: 1.613 HD2 :: 3.160 HD3 :: 2.990 HE :: 7.121 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 :: 119.106 NE :: 83.797 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.V8 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 :: 176.803 CA :: 66.888 CB :: 31.572 CG1 :: 21.713 CG2 :: 24.597 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 :: 8.537 HA :: 3.514 HB :: 2.093 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 120.642 Ave N Shift Values>> N :: 121.02(4.96) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.2 I 0.07 C 0.02 HN Overlap>> 1.I47 1.V88 1.I47 1.V88 C Shift Assignments>> C :: 179.087 CA :: 55.761 CB :: 17.161 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.936 HA :: 3.663 HB1 :: 0.837 HB2 :: 0.837 HB3 :: 0.837 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.831 Ave N Shift Values>> N :: 123.23(3.7) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.502 CA :: 67.398 CB :: 68.902 CG2 :: 21.714 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 :: 7.804 HA :: 3.797 HB :: 4.278 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 114.240 Ave N Shift Values>> N :: 115.7(5.05) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 179.732 CA :: 65.504 CB :: 38.514 CG1 :: 29.844 CG2 :: 18.172 CD1 :: 14.400 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 :: 7.745 HA :: 3.878 HB :: 2.016 HG12 :: 1.848 HG13 :: 1.087 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 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 :: 122.028 Ave N Shift Values>> N :: 121.6(4.72) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 176.751 CA :: 67.016 CB :: 37.927 CG1 :: 29.610 CG2 :: 17.986 CD1 :: 14.757 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 :: 8.765 HA :: 3.391 HB :: 1.841 HG12 :: 1.959 HG13 :: 0.876 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 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 :: 123.056 Ave N Shift Values>> N :: 121.6(4.72) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.24 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 180.715 CA :: 55.998 CB :: 18.461 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.446 HA :: 4.728 HB1 :: 1.560 HB2 :: 1.560 HB3 :: 1.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.544 Ave N Shift Values>> N :: 123.23(3.7) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.06 M 0.05 Q 0.02 C Shift Assignments>> C :: 179.153 CA :: 58.343 CB :: 29.974 CG :: 36.504 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 :: 8.280 HA :: 4.196 HB2 :: 2.134 HB3 :: 2.034 HG2 :: 2.527 HG3 :: 2.327 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.386 Ave N Shift Values>> N :: 120.68(3.68) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.166 CA :: 66.412 CB :: 69.462 CG2 :: 21.798 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 :: 8.405 HA :: 4.075 HB :: 4.136 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 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 :: 115.390 Ave N Shift Values>> N :: 115.7(5.05) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.13 C 0.13 R 0.1 H 0.09 K 0.09 Q 0.09 I 0.09 V 0.02 M 0.02 C Shift Assignments>> C :: 173.642 CA :: 59.149 CB :: 29.571 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.133 HA :: 4.565 HB2 :: 3.292 HB3 :: 2.534 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 :: 115.989 Ave N Shift Values>> N :: 119.95(4.79) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 C 0.2 Y 0.17 D 0.15 F 0.14 L 0.04 E 0.03 I 0.02 C Shift Assignments>> C :: 174.648 CA :: 55.207 CB :: 38.790 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 :: 7.724 HA :: 4.408 HB2 :: 3.062 HB3 :: 2.560 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 :: 119.842 Ave N Shift Values>> N :: 120.73(4.2) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.38 A 0.05 G 0.01 C Shift Assignments>> C :: 174.284 CA :: 57.659 CB :: 42.029 CG1 :: 27.363 CG2 :: 17.078 CD1 :: 14.047 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 :: 7.419 HA :: 4.578 HB :: 1.414 HG12 :: 1.387 HG13 :: 1.022 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 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 :: 119.093 Ave N Shift Values>> N :: 121.6(4.72) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 179.469 CA :: 63.110 CB :: 32.102 CG :: 27.986 CD :: 51.266 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 :: 4.357 HB2 :: 2.465 HB3 :: 1.937 HG2 :: 2.165 HG3 :: 1.999 HD2 :: 3.974 HD3 :: 3.561 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.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.15 L 0.02 G 0.01 C Shift Assignments>> C :: 178.656 CA :: 58.789 CB :: 29.515 CG :: 27.379 CD :: 42.308 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 :: 9.176 HA :: 3.853 HB2 :: 1.852 HB3 :: 1.870 HG2 :: 1.817 HG3 :: 1.497 HD2 :: 3.203 HD3 :: 2.952 HE :: 7.419 HH11 :: 6.796 HH12 :: 6.796 HH21 :: 6.796 HH22 :: 6.796 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 :: 129.222 NE :: 84.580 NH1 :: 71.907 NH2 :: 71.907 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.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.18 K 0.1 Q 0.04 C Shift Assignments>> C :: 177.267 CA :: 58.586 CB :: 28.191 CG :: 36.171 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 :: 9.833 HA :: 4.297 HB2 :: 2.099 HB3 :: 2.097 HG2 :: 2.353 HG3 :: 2.264 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 :: 117.285 Ave N Shift Values>> N :: 120.68(3.68) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.996 CA :: 62.310 CB :: 69.989 CG2 :: 22.301 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 :: 7.784 HA :: 4.332 HB :: 4.344 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 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 :: 110.084 Ave N Shift Values>> N :: 115.7(5.05) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 174.716 CA :: 62.568 CB :: 38.474 CG1 :: 27.529 CG2 :: 18.852 CD1 :: 14.979 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 :: 7.598 HA :: 4.003 HB :: 2.000 HG12 :: 1.894 HG13 :: 0.720 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.567 Ave N Shift Values>> N :: 121.6(4.72) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 A 0.01 C Shift Assignments>> C :: 174.289 CA :: 59.093 CB :: 69.779 CG2 :: 20.873 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 :: 8.619 HA :: 5.300 HB :: 4.603 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 118.655 Ave N Shift Values>> N :: 115.7(5.05) 1.P25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.206 CA :: 64.888 CB :: 31.809 CG :: 27.144 CD :: 50.475 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 :: 3.756 HB2 :: 1.630 HB3 :: 1.799 HG2 :: 1.678 HG3 :: 0.240(S) HD2 :: 3.612 HD3 :: 3.478 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 K 0.1 I 0.06 M 0.04 Q 0.03 C Shift Assignments>> C :: 176.950 CA :: 56.437 CB :: 29.493 CG :: 36.498 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 :: 7.365 HA :: 4.173 HB2 :: 2.224 HB3 :: 1.748 HG2 :: 2.283 HG3 :: 2.165 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 110.769 Ave N Shift Values>> N :: 120.68(3.68) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.059 CA :: 60.898 CB :: 64.144 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.056 HA :: 4.304 HB2 :: 3.811 HB3 :: 4.192 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.143 Ave N Shift Values>> N :: 116.3(3.95) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 H 0.29 W 0.28 C Shift Assignments>> C :: 178.146 CA :: 56.323 CB :: 32.559 CD2 :: 119.236 CE1 :: 139.442 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 :: 10.680 HA :: 4.722 HB2 :: 3.162 HB3 :: 3.130 HD2 :: 7.161 HE1 :: 7.525 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 :: 128.086 ND1 :: 247.118 NE2 :: 165.265 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.27 C 0.04 I 0.04 V 0.02 L 0.01 T 0.01 C Shift Assignments>> C :: 175.726 CA :: 55.898 CB :: 19.004 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.292 HA :: 3.940 HB1 :: 1.609 HB2 :: 1.609 HB3 :: 1.609 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.117 Ave N Shift Values>> N :: 123.23(3.7) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.T61 1.T61 C Shift Assignments>> C :: 179.428 CA :: 62.886 CB :: 39.133 CG1 :: 27.344 CG2 :: 17.222 CD1 :: 12.005 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 :: 8.537 HA :: 4.210 HB :: 1.824 HG12 :: 1.218 HG13 :: 1.026 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.347 HD12 :: 0.347 HD13 :: 0.347 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 :: 113.255 Ave N Shift Values>> N :: 121.6(4.72) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.25 Y 0.23 C 0.18 D 0.09 L 0.08 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 177.220 CA :: 57.415 CB :: 39.974 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 :: 8.451 HA :: 4.168 HB2 :: 2.528 HB3 :: 1.840 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.14 D 0.12 C 0.1 F 0.09 Y 0.07 N 0.01 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> C :: 177.469 CA :: 55.997 CB :: 42.139 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 :: 8.464 HA :: 5.051 HB2 :: 3.095 HB3 :: 2.958 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.188 Ave N Shift Values>> N :: 120.73(4.2) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.32 A 0.09 R 0.05 C Shift Assignments>> C :: 177.391 CA :: 54.928 CB :: 41.159 CG :: 26.877 CD1 :: 26.651 CD2 :: 22.291 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 :: 7.217 HA :: 4.465 HB2 :: 1.572 HB3 :: 2.493 HG :: 1.656 HD11 :: 1.026 HD12 :: 1.026 HD13 :: 1.026 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 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 :: 113.802 Ave N Shift Values>> N :: 121.98(4.07) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 174.524 CA :: 46.942 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.304 HA2 :: 3.913 HA3 :: 3.894 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.991 Ave N Shift Values>> N :: 109.91(4.29) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.393 CA :: 62.095 CB :: 37.746 CG1 :: 27.864 CG2 :: 18.239 CD1 :: 14.146 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 :: 7.867 HA :: 4.061 HB :: 1.679 HG12 :: 1.084 HG13 :: 1.526 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 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 :: 121.082 Ave N Shift Values>> N :: 121.6(4.72) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 C 0.11 R 0.11 K 0.09 N 0.06 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 177.153 CA :: 52.708 CB :: 42.454 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 :: 8.819 HA :: 4.784 HB2 :: 3.105 HB3 :: 2.737 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 :: 127.369 Ave N Shift Values>> N :: 120.73(4.2) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D32 1.D32 C Shift Assignments>> C :: 176.916 CA :: 62.573 CB :: 62.776 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.367 HA :: 4.074 HB2 :: 3.906 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.194 Ave N Shift Values>> N :: 116.3(3.95) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.03 C Shift Assignments>> C :: 180.135 CA :: 57.782 CB :: 41.037 CG :: 27.283 CD1 :: 24.990 CD2 :: 23.570 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 :: 7.984 HA :: 4.229 HB2 :: 1.855 HB3 :: 1.595 HG :: 1.693 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 122.810 Ave N Shift Values>> N :: 121.98(4.07) 1.D39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F40 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 :: 177.594 CA :: 61.721 CB :: 38.465 CD1 :: 131.871 CD2 :: 131.871 CE1 :: 129.999 CE2 :: 129.999 CZ :: 128.330 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 :: 8.599 HA :: 4.063 HB2 :: 3.163 HB3 :: 3.075 HD1 :: 7.153 HD2 :: 7.153 HE1 :: 7.013 HE2 :: 7.013 HZ :: 7.006 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.784 Ave N Shift Values>> N :: 120.69(4.18) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.02 C Shift Assignments>> C :: 179.394 CA :: 58.283 CB :: 41.096 CG :: 26.888 CD1 :: 25.172 CD2 :: 23.330 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 :: 7.609 HA :: 3.995 HB2 :: 1.958 HB3 :: 1.559 HG :: 1.862 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 118.773 Ave N Shift Values>> N :: 121.98(4.07) 1.D42 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 0.06 N 0.01 HN Overlap>> 1.A82 1.A82 C Shift Assignments>> C :: 179.932 CA :: 57.654 CB :: 40.204 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 :: 7.328 HA :: 4.593 HB2 :: 2.873 HB3 :: 2.622 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 :: 119.638 Ave N Shift Values>> N :: 120.73(4.2) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 177.205 CA :: 65.135 CB :: 37.790 CG1 :: 29.373 CG2 :: 16.977 CD1 :: 15.513 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 :: 8.081 HA :: 3.534 HB :: 1.752 HG12 :: 1.746 HG13 :: 0.777 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 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 :: 122.578 Ave N Shift Values>> N :: 121.6(4.72) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.29 I 0.05 C 0.03 V 0.01 C Shift Assignments>> C :: 178.492 CA :: 55.667 CB :: 18.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.841 HA :: 3.851 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.550 Ave N Shift Values>> N :: 123.23(3.7) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 178.246 CA :: 60.619 CB :: 38.743 CD1 :: 131.804 CD2 :: 131.804 CE1 :: 131.127 CE2 :: 131.127 CZ :: 130.553 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 :: 8.083 HA :: 4.489 HB2 :: 3.314 HB3 :: 3.288 HD1 :: 7.385 HD2 :: 7.388 HE1 :: 7.370 HE2 :: 7.370 HZ :: 7.339 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 :: 117.182 Ave N Shift Values>> N :: 120.69(4.18) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.41 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 181.415 CA :: 55.042 CB :: 19.219 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.747 HA :: 4.169 HB1 :: 1.611 HB2 :: 1.611 HB3 :: 1.611 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.475 Ave N Shift Values>> N :: 123.23(3.7) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> 1.A9 1.A9 C Shift Assignments>> C :: 177.032 CA :: 65.971 CB :: 37.996 CG1 :: 30.491 CG2 :: 17.873 CD1 :: 14.823 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 :: 8.971 HA :: 3.780 HB :: 2.165 HG12 :: 2.088 HG13 :: 1.052 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 122.752 Ave N Shift Values>> N :: 121.6(4.72) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.08 D 0.07 L 0.06 K 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 180.143 CA :: 57.704 CB :: 39.803 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 :: 8.987 HA :: 4.378 HB2 :: 2.860 HB3 :: 2.852 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 :: 123.760 Ave N Shift Values>> N :: 120.73(4.2) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 178.855 CA :: 58.622 CB :: 32.566 CG :: 24.560 CD :: 29.015 CE :: 42.055 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 :: 7.593 HA :: 4.010 HB2 :: 1.759 HB3 :: 1.760 HG2 :: 1.381 HG3 :: 1.322 HD2 :: 1.590 HD3 :: 1.589 HE2 :: 2.894 HE3 :: 2.805 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 :: 117.466 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.43 C 0.03 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 179.379 CA :: 54.658 CB :: 19.174 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.152 HA :: 4.015 HB1 :: 1.239 HB2 :: 1.239 HB3 :: 1.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.932 Ave N Shift Values>> N :: 123.23(3.7) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.183 CA :: 58.374 CB :: 40.494 CD1 :: 132.829 CD2 :: 132.829 CE1 :: 130.395 CE2 :: 130.395 CZ :: 129.947 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 :: 8.620 HA :: 4.535 HB2 :: 3.053 HB3 :: 2.776 HD1 :: 7.596 HD2 :: 7.595 HE1 :: 7.209 HE2 :: 7.209 HZ :: 7.293 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 :: 111.445 Ave N Shift Values>> N :: 120.69(4.18) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.832 CA :: 47.293 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.136 HA2 :: 4.064 HA3 :: 3.892 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.969 Ave N Shift Values>> N :: 109.91(4.29) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.18 G 0.12 A 0.04 C Shift Assignments>> C :: 173.576 CA :: 58.559 CB :: 42.855 CG1 :: 24.894 CG2 :: 18.699 CD1 :: 15.554 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 :: 7.476 HA :: 4.668 HB :: 1.849 HG12 :: 1.407 HG13 :: 0.979 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 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 :: 110.687 Ave N Shift Values>> N :: 121.6(4.72) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.31 R 0.15 M 0.02 G 0.01 C Shift Assignments>> C :: 175.793 CA :: 53.228 CB :: 33.075 CG :: 24.355 CD :: 28.727 CE :: 42.212 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 :: 7.965 HA :: 4.587 HB2 :: 1.591 HB3 :: 1.470 HG2 :: 1.210 HG3 :: 1.177 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.940 HE3 :: 2.940 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 :: 119.664 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.73 C 0.21 R 0.01 G 0.01 A 0.01 C Shift Assignments>> C :: 177.152 CA :: 53.262 CB :: 42.026 CG :: 25.831 CD1 :: 25.768 CD2 :: 24.158 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 :: 10.625(S) HA :: 3.841 HB2 :: 1.617 HB3 :: 0.994 HG :: 1.535 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 130.663 Ave N Shift Values>> N :: 121.98(4.07) 1.P56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.84 P 0.14 C Shift Assignments>> C :: 174.449 CA :: 61.582 CB :: 27.462 CG :: 26.443 CD :: 50.414 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 :: 4.580 HB2 :: 1.528 HB3 :: 1.879 HG2 :: 1.760 HG3 :: 0.925 HD2 :: 2.316(S) HD3 :: 2.316 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.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.06 G 0.01 C Shift Assignments>> C :: 179.136 CA :: 58.089 CB :: 42.124 CG :: 27.081 CD1 :: 24.760 CD2 :: 24.394 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 :: 7.463 HA :: 3.405 HB2 :: 1.511 HB3 :: 1.328 HG :: 1.452 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 121.417 Ave N Shift Values>> N :: 121.98(4.07) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.27 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.655 CA :: 59.829 CB :: 28.669 CG :: 36.552 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 :: 8.805 HA :: 3.981 HB2 :: 1.959 HB3 :: 1.960 HG2 :: 2.251 HG3 :: 2.251 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 :: 119.172 Ave N Shift Values>> N :: 120.68(3.68) 1.K59 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 G 0.01 C Shift Assignments>> C :: 178.709 CA :: 58.936 CB :: 32.184 CG :: 24.776 CD :: 29.326 CE :: 42.247 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 :: 7.433 HA :: 4.093 HB2 :: 1.864 HB3 :: 1.822 HG2 :: 1.380 HG3 :: 1.379 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 3.025 HE3 :: 3.025 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 :: 122.037 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 W 0.35 HN Overlap>> 1.E95 1.E95 C Shift Assignments>> C :: 178.339 CA :: 57.744 CB :: 28.467 CD1 :: 123.203 CE3 :: 119.675 CZ2 :: 112.823 CZ3 :: 119.858 CH2 :: 122.983 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 :: 8.129 HA :: 4.186 HB2 :: 2.919 HB3 :: 2.067 HD1 :: 6.411 HE1 :: 10.047 HE3 :: 6.741 HZ2 :: 7.218 HZ3 :: 6.557 HH2 :: 6.786 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 :: 119.892 NE1 :: 128.046 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I30 1.I30 C Shift Assignments>> C :: 176.377 CA :: 67.032 CB :: 68.976 CG2 :: 21.524 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 :: 8.439 HA :: 3.879 HB :: 4.280 HG21 :: 1.280 HG22 :: 1.280 HG23 :: 1.280 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 :: 113.225 Ave N Shift Values>> N :: 115.7(5.05) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.22 R 0.11 E 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 177.832 CA :: 58.907 CB :: 28.121 CG :: 33.398 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 :: 7.833 HA :: 4.033 HB2 :: 2.288 HB3 :: 2.273 HG2 :: 2.509 HG3 :: 2.431 HE21 :: 7.909 HE22 :: 6.884 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 :: 122.375 NE2 :: 114.445 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 I 0.26 M 0.03 K 0.02 C Shift Assignments>> C :: 179.998 CA :: 60.083 CB :: 30.419 CG :: 36.961 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 :: 8.434 HA :: 4.066 HB2 :: 2.460 HB3 :: 1.999 HG2 :: 2.697 HG3 :: 2.175 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 :: 119.114 Ave N Shift Values>> N :: 120.68(3.68) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 180.580 CA :: 65.416 CB :: 31.897 CG1 :: 21.692 CG2 :: 22.436 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 :: 8.167 HA :: 4.106 HB :: 2.272 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 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 :: 119.573 Ave N Shift Values>> N :: 121.02(4.96) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.22 F 0.15 E 0.11 N 0.1 D 0.06 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 177.343 CA :: 56.263 CB :: 38.023 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 :: 8.521 HA :: 4.487 HB2 :: 2.924 HB3 :: 2.941 HD21 :: 7.553 HD22 :: 6.963 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 :: 121.693 ND2 :: 112.154 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.19 K 0.14 C 0.11 F 0.09 Y 0.08 N 0.07 R 0.03 C Shift Assignments>> C :: 176.922 CA :: 54.820 CB :: 41.203 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 :: 8.469 HA :: 4.738 HB2 :: 2.860 HB3 :: 2.777 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 :: 117.849 Ave N Shift Values>> N :: 120.73(4.2) 1.G67 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 :: 174.806 CA :: 45.960 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.101 HA2 :: 4.194 HA3 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.617 Ave N Shift Values>> N :: 109.91(4.29) 1.K68 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 G 0.01 C Shift Assignments>> C :: 175.017 CA :: 56.292 CB :: 33.445 CG :: 25.231 CD :: 29.054 CE :: 42.219 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 :: 8.414 HA :: 4.300 HB2 :: 2.051 HB3 :: 1.710 HG2 :: 1.502 HG3 :: 1.415 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.029 HE3 :: 3.029 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 :: 118.843 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.23 P 0.15 K 0.08 A 0.05 M 0.04 R 0.02 C Shift Assignments>> C :: 176.010 CA :: 50.486 CB :: 23.973 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.500 HA :: 4.606 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.387 Ave N Shift Values>> N :: 123.23(3.7) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 175.706 CA :: 59.724 CB :: 70.636 CG2 :: 21.889 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 :: 7.974 HA :: 4.723 HB :: 4.696 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 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 :: 109.871 Ave N Shift Values>> N :: 115.7(5.05) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.347 CA :: 65.088 CB :: 69.035 CG2 :: 22.712 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 :: 9.012 HA :: 4.142 HB :: 4.505 HG21 :: 1.556 HG22 :: 1.556 HG23 :: 1.556 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 :: 111.370 Ave N Shift Values>> N :: 115.7(5.05) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.28 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.566 CA :: 59.904 CB :: 28.903 CG :: 36.535 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 :: 8.835 HA :: 3.857 HB2 :: 1.994 HB3 :: 2.124 HG2 :: 2.294 HG3 :: 2.357 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 :: 122.152 Ave N Shift Values>> N :: 120.68(3.68) 1.Q73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.23 R 0.11 E 0.06 M 0.04 C Shift Assignments>> C :: 174.138 CA :: 57.963 CB :: 28.613 CG :: 33.203 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 :: 7.299 HA :: 3.643 HB2 :: 1.633 HB3 :: 1.337 HG2 :: 1.828 HG3 :: 1.317(S) HE21 :: 6.980 HE22 :: 6.620 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 :: 116.865 NE2 :: 112.266 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 173.940 CA :: 56.811 CB :: 40.195 CD1 :: 130.591 CD2 :: 130.591 CE1 :: 117.252 CE2 :: 117.252 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 :: 6.303 HA :: 4.068 HB2 :: 1.648(S) HB3 :: 1.309(S) HD1 :: 5.638 HD2 :: 5.638 HE1 :: 5.998 HE2 :: 5.998 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 :: 112.803 Ave N Shift Values>> N :: 120.79(4.69) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 177.979 CA :: 57.677 CB :: 39.703 CD1 :: 131.554 CD2 :: 131.554 CE1 :: 130.619 CE2 :: 130.619 CZ :: 129.158 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 :: 7.747 HA :: 4.657 HB2 :: 2.947 HB3 :: 2.304 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 6.787 HE2 :: 6.787 HZ :: 7.018 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 :: 107.830 Ave N Shift Values>> N :: 120.69(4.18) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 180.060 CA :: 63.034 CB :: 31.091 CG1 :: 21.913 CG2 :: 24.153 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 :: 7.013 HA :: 4.768 HB :: 2.183 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 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 :: 120.734 Ave N Shift Values>> N :: 121.02(4.96) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.37 R 0.04 C Shift Assignments>> C :: 179.109 CA :: 59.047 CB :: 40.901 CG :: 26.806 CD1 :: 26.806 CD2 :: 22.308 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 :: 8.870 HA :: 4.036 HB2 :: 1.607 HB3 :: 2.547 HG :: 2.224 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 131.522 Ave N Shift Values>> N :: 121.98(4.07) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.32 R 0.22 M 0.04 G 0.01 C Shift Assignments>> C :: 177.996 CA :: 59.103 CB :: 31.138 CG :: 23.638 CD :: 29.540 CE :: 42.067 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 :: 9.537 HA :: 4.201 HB2 :: 1.835 HB3 :: 1.603 HG2 :: 1.209 HG3 :: 1.104 HD2 :: 1.485 HD3 :: 1.373 HE2 :: 2.756 HE3 :: 2.805 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 :: 116.623 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.25 E 0.13 Y 0.12 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 176.150 CA :: 54.564 CB :: 37.188 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 :: 7.333 HA :: 4.647 HB2 :: 2.803 HB3 :: 2.698 HD21 :: 7.345 HD22 :: 7.139 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 :: 121.445 ND2 :: 113.222 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.35 R 0.06 C Shift Assignments>> C :: 178.805 CA :: 58.699 CB :: 40.812 CG :: 27.412 CD1 :: 22.526 CD2 :: 25.914 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 :: 8.258 HA :: 4.025 HB2 :: 1.960 HB3 :: 1.585 HG :: 1.667 HD11 :: 1.276 HD12 :: 1.276 HD13 :: 1.276 HD21 :: 0.988 HD22 :: 0.988 HD23 :: 0.988 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 :: 124.268 Ave N Shift Values>> N :: 121.98(4.07) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 177.639 CA :: 55.256 CB :: 17.311 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.579 HA :: 3.863 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.122 Ave N Shift Values>> N :: 123.23(3.7) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.02 HN Overlap>> 1.D42 1.D42 C Shift Assignments>> C :: 180.817 CA :: 55.364 CB :: 17.867 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.230 HA :: 4.194 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 :: 119.690 Ave N Shift Values>> N :: 123.23(3.7) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.38 K 0.12 G 0.08 C Shift Assignments>> C :: 180.606 CA :: 58.496 CB :: 31.929 CG :: 26.505 CD :: 43.445 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 :: 8.521 HA :: 4.320 HB2 :: 2.442 HB3 :: 2.117 HG2 :: 1.418 HG3 :: 2.228 HD2 :: 2.997 HD3 :: 3.159 HE :: 7.755 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.252 NE :: 84.936 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.I84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.305 CA :: 66.133 CB :: 37.687 CG1 :: 29.885 CG2 :: 15.930 CD1 :: 16.326 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 :: 8.345 HA :: 3.376 HB :: 1.726 HG12 :: 1.780 HG13 :: 0.520 HG21 :: -0.160(S) HG22 :: -0.160(S) HG23 :: -0.160(S) HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 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 :: 121.296 Ave N Shift Values>> N :: 121.6(4.72) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.1 D 0.05 L 0.04 E 0.02 N 0.01 K 0.01 C Shift Assignments>> C :: 180.198 CA :: 57.931 CB :: 39.442 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 :: 8.336 HA :: 4.400 HB2 :: 2.885 HB3 :: 2.671 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 :: 120.167 Ave N Shift Values>> N :: 120.73(4.2) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.16 K 0.09 Q 0.04 M 0.02 C Shift Assignments>> C :: 179.783 CA :: 59.162 CB :: 29.462 CG :: 36.077 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 :: 8.060 HA :: 4.113 HB2 :: 2.495 HB3 :: 2.091 HG2 :: 2.565 HG3 :: 2.394 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 :: 121.150 Ave N Shift Values>> N :: 120.68(3.68) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.39 R 0.18 G 0.01 K 0.01 HN Overlap>> 1.I43 1.I43 C Shift Assignments>> C :: 180.498 CA :: 58.183 CB :: 42.047 CG :: 27.106 CD1 :: 27.095 CD2 :: 22.847 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 :: 8.093 HA :: 4.195 HB2 :: 1.392 HB3 :: 2.144 HG :: 2.059 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.990 HD22 :: 0.990 HD23 :: 0.990 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 :: 122.686 Ave N Shift Values>> N :: 121.98(4.07) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.A9 1.A9 C Shift Assignments>> C :: 179.265 CA :: 66.861 CB :: 32.103 CG1 :: 24.102 CG2 :: 21.430 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 :: 9.041 HA :: 3.537 HB :: 2.282 HG11 :: 1.240 HG12 :: 1.240 HG13 :: 1.240 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 122.841 Ave N Shift Values>> N :: 121.02(4.96) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.02 C 0.02 C Shift Assignments>> C :: 180.065 CA :: 54.680 CB :: 17.836 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.179 HA :: 4.216 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.980 Ave N Shift Values>> N :: 123.23(3.7) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.350 CA :: 53.986 CB :: 18.443 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.858 HA :: 4.261 HB1 :: 1.558 HB2 :: 1.558 HB3 :: 1.558 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.178 Ave N Shift Values>> N :: 123.23(3.7) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 178.613 CA :: 58.582 CB :: 32.409 CG :: 24.731 CD :: 29.674 CE :: 42.288 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 :: 7.674 HA :: 4.181 HB2 :: 2.029 HB3 :: 1.968 HG2 :: 1.719 HG3 :: 1.532 HD2 :: 1.773 HD3 :: 1.773 HE2 :: 3.108 HE3 :: 3.108 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 :: 119.029 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G92 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 :: 174.862 CA :: 46.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.100 HA2 :: 4.005 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.175 Ave N Shift Values>> N :: 109.91(4.29) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 C Shift Assignments>> C :: 178.495 CA :: 53.259 CB :: 18.840 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.906 HA :: 4.298 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.235 Ave N Shift Values>> N :: 123.23(3.7) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.3 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.967 CA :: 55.864 CB :: 42.295 CG :: 26.921 CD1 :: 24.922 CD2 :: 23.447 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 :: 7.944 HA :: 4.263 HB2 :: 1.723 HB3 :: 1.599 HG :: 1.703 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 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 :: 119.814 Ave N Shift Values>> N :: 121.98(4.07) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 R 0.13 W 0.13 Q 0.12 C 0.12 K 0.09 M 0.06 I 0.01 V 0.01 HN Overlap>> 1.W60 1.W60 C Shift Assignments>> C :: 176.478 CA :: 56.852 CB :: 30.127 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 :: 8.095 HA :: 4.176 HB2 :: 1.935 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 :: 119.925 Ave N Shift Values>> N :: 120.68(3.68) 1.H96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 101 #Suspicious: 0 C Shift Results: #Consistent: 428 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 674 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 99 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P25 HG3 = 0.240(S), Expected = 1.92, Std = 0.3700, ChiSquare = 5.6110e-06 1.L55 H = 10.625(S), Expected = 8.22, Std = 0.6500, ChiSquare = 2.1560e-04 1.P56 HD2 = 2.316(S), Expected = 3.64, Std = 0.3600, ChiSquare = 2.3527e-04 1.Q73 HG3 = 1.317(S), Expected = 2.32, Std = 0.2900, ChiSquare = 5.4295e-04 1.Y74 HB2 = 1.648(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.4770e-04 1.Y74 HB3 = 1.309(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.5114e-05 1.I84 HG21 = -0.160(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.3181e-04 1.I84 HG22 = -0.160(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.3181e-04 1.I84 HG23 = -0.160(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.3181e-04