Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.34 L 0.19 N 0.16 K 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.847 CA :: 53.800 CB :: 40.922 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 :: 4.708 HB2 :: 2.672 HB3 :: 2.826 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.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.19 R 0.07 M 0.04 I 0.04 C Shift Assignments>> C :: 177.725 CA :: 58.612 CB :: 28.880 CG :: 33.994 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 :: 9.117 HA :: 4.139 HB2 :: 2.053 HB3 :: 2.053 HG2 :: 2.493 HG3 :: 2.493 HE21 :: 7.000 HE22 :: 7.647 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 :: 124.129 NE2 :: 111.813 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 A 0.05 R 0.01 C Shift Assignments>> C :: 178.111 CA :: 56.421 CB :: 40.690 CG :: 26.646 CD1 :: 24.921 CD2 :: 22.301 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 :: 8.285 HA :: 3.947 HB2 :: 1.715 HB3 :: 1.276 HG :: 1.250 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.121 HD22 :: 0.121 HD23 :: 0.121 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 :: 117.977 Ave N Shift Values>> N :: 121.98(4.07) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.26 M 0.02 G 0.01 C Shift Assignments>> C :: 178.775 CA :: 59.939 CB :: 32.344 CG :: 24.895 CD :: 29.186 CE :: 41.998 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 :: 7.624 HA :: 3.837 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 1.486 HG3 :: 1.372 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.986 HE3 :: 2.986 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 :: 121.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.483 CA :: 66.062 CB :: 68.255 CG2 :: 21.434 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 :: 7.852 HA :: 3.908 HB :: 4.207 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 115.606 Ave N Shift Values>> N :: 115.7(5.05) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A61 1.A61 C Shift Assignments>> C :: 177.219 CA :: 65.799 CB :: 37.619 CG1 :: 30.188 CG2 :: 17.943 CD1 :: 13.106 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 :: 7.791 HA :: 3.422 HB :: 1.679 HG12 :: 0.835 HG13 :: 1.733 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 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 :: 122.292 Ave N Shift Values>> N :: 121.6(4.72) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.4 G 0.04 HN Overlap>> 1.E24 1.E93 1.E24 1.E93 1.K34 1.K34 C Shift Assignments>> C :: 179.054 CA :: 60.378 CB :: 31.990 CG :: 26.698 CD :: 29.365 CE :: 42.424 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 :: 8.233 HA :: 3.721 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 1.494 HG3 :: 1.362 HD2 :: 1.719 HD3 :: 1.596 HE2 :: 2.893 HE3 :: 2.780 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 :: 119.853 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.23 K 0.17 Q 0.09 M 0.02 HN Overlap>> 1.N57 1.F83 1.N57 1.F83 C Shift Assignments>> C :: 178.839 CA :: 59.045 CB :: 28.877 CG :: 35.866 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 :: 7.677 HA :: 4.138 HB2 :: 2.170 HB3 :: 2.064 HG2 :: 2.290 HG3 :: 2.415 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 :: 118.933 Ave N Shift Values>> N :: 120.68(3.68) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 179.717 CA :: 58.212 CB :: 41.994 CG :: 26.038 CD1 :: 25.070 CD2 :: 22.324 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 :: 7.996 HA :: 4.027 HB2 :: 2.092 HB3 :: 1.503 HG :: 1.895 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 120.361 Ave N Shift Values>> N :: 121.98(4.07) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> C :: 179.525 CA :: 65.782 CB :: 37.620 CG1 :: 30.163 CG2 :: 16.604 CD1 :: 14.702 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.059 HA :: 3.233 HB :: 1.807 HG12 :: 0.393 HG13 :: 1.784 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.455 Ave N Shift Values>> N :: 121.6(4.72) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.19 N 0.17 E 0.14 D 0.09 I 0.05 M 0.03 L 0.02 HN Overlap>> 1.N43 1.N43 C Shift Assignments>> C :: 177.168 CA :: 55.945 CB :: 38.012 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 :: 8.219 HA :: 4.355 HB2 :: 2.908 HB3 :: 2.908 HD21 :: 7.708 HD22 :: 6.834 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.732 ND2 :: 112.311 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.34 E 0.12 R 0.09 M 0.07 C Shift Assignments>> C :: 176.418 CA :: 55.821 CB :: 28.852 CG :: 33.669 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 :: 8.028 HA :: 4.295 HB2 :: 2.150 HB3 :: 2.263 HG2 :: 2.540 HG3 :: 2.540 HE21 :: 7.568 HE22 :: 6.778 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 :: 116.080 NE2 :: 111.356 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.233 CA :: 45.063 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.853 HA2 :: 4.337 HA3 :: 3.511 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.118 Ave N Shift Values>> N :: 109.91(4.29) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.18 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 176.427 CA :: 51.828 CB :: 38.583 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 :: 8.325 HA :: 4.973 HB2 :: 2.937 HB3 :: 2.385 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.524 Ave N Shift Values>> N :: 120.73(4.2) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.618 CA :: 62.996 CB :: 35.856 CG1 :: 28.001 CG2 :: 18.564 CD1 :: 10.886 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 :: 7.615 HA :: 3.353 HB :: 1.948 HG12 :: 1.351 HG13 :: 1.351 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 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 :: 119.875 Ave N Shift Values>> N :: 121.6(4.72) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.36 K 0.08 Q 0.02 C Shift Assignments>> C :: 179.739 CA :: 60.364 CB :: 28.670 CG :: 36.311 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 :: 8.844 HA :: 3.887 HB2 :: 2.031 HB3 :: 1.952 HG2 :: 2.246 HG3 :: 2.246 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 :: 120.080 Ave N Shift Values>> N :: 120.68(3.68) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.2 E 0.19 F 0.15 D 0.07 M 0.04 I 0.04 L 0.01 K 0.01 HN Overlap>> 1.S60 1.S60 C Shift Assignments>> C :: 178.197 CA :: 55.682 CB :: 37.615 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 :: 7.768 HA :: 4.535 HB2 :: 2.652 HB3 :: 2.541 HD21 :: 6.893 HD22 :: 8.790 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 :: 116.056 ND2 :: 116.089 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.05 V 0.01 C Shift Assignments>> C :: 178.732 CA :: 55.543 CB :: 18.362 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.989 HA :: 3.870 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.900 Ave N Shift Values>> N :: 123.23(3.7) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 HN Overlap>> 1.Q52 1.Q52 C Shift Assignments>> C :: 179.139 CA :: 58.169 CB :: 41.569 CG :: 26.668 CD1 :: 25.309 CD2 :: 23.178 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 :: 8.589 HA :: 3.856 HB2 :: 1.325 HB3 :: 1.843 HG :: 1.434 HD11 :: 0.431 HD12 :: 0.431 HD13 :: 0.431 HD21 :: 0.347 HD22 :: 0.347 HD23 :: 0.347 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 :: 117.052 Ave N Shift Values>> N :: 121.98(4.07) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.32 R 0.16 E 0.09 M 0.03 I 0.02 P 0.01 C Shift Assignments>> C :: 178.411 CA :: 58.730 CB :: 28.002 CG :: 33.405 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 :: 7.439 HA :: 4.029 HB2 :: 2.129 HB3 :: 2.129 HG2 :: 2.488 HG3 :: 2.383 HE21 :: 7.606 HE22 :: 6.777 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.218 NE2 :: 112.280 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 181.475 CA :: 54.631 CB :: 17.907 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.848 HA :: 4.191 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.474 Ave N Shift Values>> N :: 123.23(3.7) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.08 G 0.02 C Shift Assignments>> C :: 177.996 CA :: 58.155 CB :: 42.020 CG :: 27.553 CD1 :: 24.087 CD2 :: 24.072 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 :: 8.751 HA :: 3.906 HB2 :: 2.099 HB3 :: 1.355 HG :: 1.674 HD11 :: 0.596 HD12 :: 0.596 HD13 :: 0.596 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 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 :: 122.246 Ave N Shift Values>> N :: 121.98(4.07) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.28 K 0.16 Q 0.08 M 0.02 HN Overlap>> 1.K8 1.K34 1.K8 1.K34 C Shift Assignments>> C :: 179.751 CA :: 59.506 CB :: 28.849 CG :: 35.857 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 :: 8.247 HA :: 3.971 HB2 :: 2.157 HB3 :: 2.062 HG2 :: 2.428 HG3 :: 2.253 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 :: 119.875 Ave N Shift Values>> N :: 120.68(3.68) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.27 K 0.12 Q 0.05 M 0.03 C Shift Assignments>> C :: 179.204 CA :: 59.058 CB :: 29.238 CG :: 36.269 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 :: 7.736 HA :: 4.013 HB2 :: 2.093 HB3 :: 2.093 HG2 :: 2.433 HG3 :: 2.248 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 :: 118.451 Ave N Shift Values>> N :: 120.68(3.68) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.4 C Shift Assignments>> C :: 178.732 CA :: 61.020 CB :: 39.383 CD1 :: 130.944 CE1 :: 131.237 CZ :: 130.806 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 :: 8.389 HA :: 4.218 HB2 :: 3.195 HB3 :: 3.195 HD1 :: 6.948 HD2 :: 6.948 HE1 :: 7.149 HE2 :: 7.149 HZ :: 7.421 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.243 Ave N Shift Values>> N :: 120.69(4.18) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.16 G 0.01 C Shift Assignments>> C :: 179.172 CA :: 57.728 CB :: 42.008 CG :: 27.146 CD1 :: 25.585 CD2 :: 23.175 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 :: 8.643 HA :: 3.666 HB2 :: 1.964 HB3 :: 1.367 HG :: 1.641 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 HD21 :: 0.446 HD22 :: 0.446 HD23 :: 0.446 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 :: 119.374 Ave N Shift Values>> N :: 121.98(4.07) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.14 R 0.09 M 0.06 I 0.01 C Shift Assignments>> C :: 177.261 CA :: 57.287 CB :: 28.832 CG :: 33.677 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 :: 7.536 HA :: 4.215 HB2 :: 2.225 HB3 :: 2.225 HG2 :: 2.583 HG3 :: 2.508 HE21 :: 6.834 HE22 :: 7.473 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 :: 116.095 NE2 :: 111.843 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.092 CA :: 62.533 CB :: 70.435 CG2 :: 21.410 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 :: 7.480 HA :: 4.332 HB :: 4.234 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.609 Ave N Shift Values>> N :: 115.7(5.05) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.25 R 0.04 I 0.02 M 0.01 HN Overlap>> 1.M88 1.L71 1.M88 1.L71 C Shift Assignments>> CA :: 54.719 CB :: 28.002 CG :: 35.030 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 :: 7.935 HA :: 4.221 HB2 :: 1.781 HB3 :: 1.547 HG2 :: 2.026 HG3 :: 1.891 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 :: 119.400 Ave N Shift Values>> N :: 120.68(3.68) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.447 CA :: 62.992 CB :: 32.354 CG :: 26.238 CD :: 50.072 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 :: 4.430 HB2 :: 1.754 HB3 :: 1.905 HG2 :: 1.536 HG3 :: 1.285 HD2 :: 3.605 HD3 :: 3.436 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.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 M 0.02 I 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 176.778 CA :: 62.755 CB :: 32.697 CG1 :: 20.978 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 :: 7.989 HA :: 4.211 HB :: 2.121 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 118.439 Ave N Shift Values>> N :: 121.02(4.96) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 176.287 CA :: 45.917 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.764 HA2 :: 4.195 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.588 Ave N Shift Values>> N :: 109.91(4.29) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.43 G 0.01 M 0.01 HN Overlap>> 1.E24 1.K8 1.E24 1.K8 C Shift Assignments>> C :: 177.040 CA :: 59.883 CB :: 32.883 CG :: 26.207 CD :: 29.733 CE :: 42.003 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 :: 8.296 HA :: 3.839 HB2 :: 1.988 HB3 :: 1.833 HG2 :: 1.356 HG3 :: 1.494 HD2 :: 1.824 HD3 :: 1.824 HE2 :: 3.073 HE3 :: 3.073 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 :: 119.887 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.19 L 0.15 D 0.09 R 0.05 I 0.05 N 0.01 C Shift Assignments>> C :: 177.018 CA :: 57.636 CB :: 41.086 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 :: 9.065 HA :: 4.362 HB2 :: 2.841 HB3 :: 2.918 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.065 Ave N Shift Values>> N :: 120.73(4.2) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.25 K 0.14 Q 0.06 M 0.03 C Shift Assignments>> C :: 178.261 CA :: 59.046 CB :: 29.283 CG :: 36.103 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 :: 7.474 HA :: 4.275 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.275 HG3 :: 2.438 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 :: 121.291 Ave N Shift Values>> N :: 120.68(3.68) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.04 HN Overlap>> 1.D50 1.D50 C Shift Assignments>> C :: 179.161 CA :: 55.091 CB :: 17.925 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.674 HA :: 3.887 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.365 Ave N Shift Values>> N :: 123.23(3.7) 1.Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.497 CA :: 62.662 CB :: 37.996 CD1 :: 132.977 CE1 :: 118.124 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 :: 8.175 HA :: 4.422 HB2 :: 3.770 HB3 :: 2.764 HD1 :: 7.294 HD2 :: 7.294 HE1 :: 6.775 HE2 :: 6.775 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.027 Ave N Shift Values>> N :: 120.79(4.69) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.311 CA :: 60.856 CB :: 38.015 CD1 :: 132.811 CE1 :: 118.123 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 :: 8.321 HA :: 4.413 HB2 :: 3.438 HB3 :: 3.237 HD1 :: 7.035 HD2 :: 7.035 HE1 :: 6.648 HE2 :: 6.648 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 :: 120.527 Ave N Shift Values>> N :: 120.79(4.69) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.22 A 0.01 K 0.01 G 0.01 C Shift Assignments>> C :: 178.857 CA :: 57.723 CB :: 41.543 CG :: 26.622 CD1 :: 27.096 CD2 :: 22.373 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 :: 8.508 HA :: 3.585 HB2 :: 1.916 HB3 :: 1.072 HG :: 2.055 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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 :: 118.925 Ave N Shift Values>> N :: 121.98(4.07) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 A 0.01 C Shift Assignments>> C :: 178.325 CA :: 59.498 CB :: 32.806 CG :: 33.237 CE :: 17.851 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 :: 8.661 HA :: 3.611 HB2 :: 2.432 HB3 :: 2.509 HG2 :: 2.234 HG3 :: 2.234 HE1 :: 2.058 HE2 :: 2.058 HE3 :: 2.058 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.892 Ave N Shift Values>> N :: 120.1(3.88) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 P 0.31 A 0.12 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 174.726 CA :: 48.104 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.531 HA2 :: 3.564 HA3 :: 3.164 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.064 Ave N Shift Values>> N :: 109.91(4.29) 1.N43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.3 N 0.18 M 0.15 Y 0.13 K 0.07 F 0.05 Q 0.02 I 0.01 D 0.01 HN Overlap>> 1.N12 1.N12 C Shift Assignments>> C :: 178.111 CA :: 54.966 CB :: 36.326 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 :: 8.260 HA :: 4.334 HB2 :: 2.952 HB3 :: 2.693 HD21 :: 7.276 HD22 :: 5.447(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.815 ND2 :: 107.009 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.26 I 0.04 C Shift Assignments>> C :: 178.389 CA :: 55.152 CB :: 16.897 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.487 HA :: 3.788 HB1 :: 1.163 HB2 :: 1.163 HB3 :: 1.163 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.304 Ave N Shift Values>> N :: 123.23(3.7) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.775 CA :: 62.995 CB :: 36.944 CD1 :: 132.528 CE1 :: 118.542 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 :: 8.160 HA :: 4.168 HB2 :: 2.422 HB3 :: 3.333 HD1 :: 6.935 HD2 :: 6.935 HE1 :: 6.677 HE2 :: 6.677 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 :: 115.156 Ave N Shift Values>> N :: 120.79(4.69) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.38 K 0.02 C Shift Assignments>> C :: 179.396 CA :: 59.924 CB :: 30.131 CG :: 27.104 CD :: 44.165 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 :: 8.901 HA :: 3.677 HB2 :: 2.233 HB3 :: 1.973 HG2 :: 1.784 HG3 :: 1.784 HD2 :: 3.354 HD3 :: 3.257 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 :: 121.781 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.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.35 M 0.02 G 0.01 C Shift Assignments>> C :: 178.111 CA :: 58.950 CB :: 31.906 CG :: 25.370 CD :: 28.873 CE :: 41.978 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 :: 7.813 HA :: 4.058 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 1.496 HG3 :: 1.559 HD2 :: 1.631 HD3 :: 1.631 HE2 :: 2.965 HE3 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.818 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 A 0.11 G 0.04 R 0.03 C Shift Assignments>> C :: 177.254 CA :: 54.908 CB :: 42.475 CG :: 25.811 CD1 :: 25.332 CD2 :: 22.322 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 :: 7.312 HA :: 4.228 HB2 :: 1.859 HB3 :: 1.706 HG :: 1.775 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.553 Ave N Shift Values>> N :: 121.98(4.07) 1.G49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.35 L 0.27 R 0.27 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.900 CA :: 44.184 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.564 HA2 :: 3.607 HA3 :: 2.316(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.326 Ave N Shift Values>> N :: 109.91(4.29) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.23 Y 0.04 F 0.04 L 0.03 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 175.681 CA :: 51.083 CB :: 39.169 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 :: 7.670 HA :: 4.564 HB2 :: 2.971 HB3 :: 2.202 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 :: 120.356 Ave N Shift Values>> N :: 120.73(4.2) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.89 H 0.1 C Shift Assignments>> C :: 178.047 CA :: 58.473 CB :: 30.099 CD1 :: 128.168 CE3 :: 118.988 CZ2 :: 115.031 CZ3 :: 121.650 CH2 :: 124.558 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 :: 6.939 HA :: 4.314 HB2 :: 3.233 HB3 :: 3.111 HD1 :: 7.229 HE1 :: 10.006 HE3 :: 7.326 HZ2 :: 7.502 HZ3 :: 7.064 HH2 :: 7.229 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 :: 121.784 NE1 :: 129.407 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 R 0.12 E 0.12 I 0.04 M 0.03 P 0.01 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 178.454 CA :: 58.925 CB :: 28.183 CG :: 33.683 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 :: 8.677 HA :: 3.960 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 2.291 HG3 :: 2.224 HE21 :: 7.441 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 :: 117.018 NE2 :: 113.246 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.52 R 0.45 G 0.01 M 0.01 HN Overlap>> 1.Q72 1.Q72 C Shift Assignments>> C :: 180.361 CA :: 59.764 CB :: 30.802 CG :: 26.198 CD :: 29.030 CE :: 41.721 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 :: 7.392 HA :: 3.774 HB2 :: 0.682(S) HB3 :: 0.363(S) HG2 :: 1.230 HG3 :: 0.799 HD2 :: 0.980 HD3 :: 0.980 HE2 :: 2.781 HE3 :: 2.722 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 :: 117.913 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.19 I 0.08 C Shift Assignments>> C :: 177.635 CA :: 55.792 CB :: 17.045 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.223 HA :: 4.012 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.665 Ave N Shift Values>> N :: 123.23(3.7) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 C Shift Assignments>> C :: 179.568 CA :: 58.611 CB :: 41.500 CG :: 27.023 CD1 :: 25.372 CD2 :: 24.926 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 :: 8.425 HA :: 4.010 HB2 :: 1.672 HB3 :: 2.022 HG :: 2.014 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.583 Ave N Shift Values>> N :: 121.98(4.07) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 N 0.18 F 0.17 E 0.15 D 0.08 I 0.04 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 177.790 CA :: 55.852 CB :: 37.882 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 :: 8.284 HA :: 4.360 HB2 :: 2.784 HB3 :: 2.784 HD21 :: 7.482 HD22 :: 6.913 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 :: 117.763 ND2 :: 110.424 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.31 I 0.16 E 0.05 D 0.04 L 0.03 N 0.01 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 177.404 CA :: 58.105 CB :: 38.931 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 :: 7.600 HA :: 4.425 HB2 :: 2.372 HB3 :: 3.333 HD21 :: 7.350 HD22 :: 7.114 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 :: 118.927 ND2 :: 112.318 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.9 H 0.07 W 0.01 C Shift Assignments>> C :: 178.047 CA :: 58.430 CB :: 36.743 CD1 :: 129.950 CE1 :: 118.102 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 :: 8.838 HA :: 4.667 HB2 :: 3.138 HB3 :: 3.269 HD1 :: 6.926 HD2 :: 6.926 HE1 :: 6.839 HE2 :: 6.839 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 :: 118.473 Ave N Shift Values>> N :: 120.79(4.69) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 K 0.3 Q 0.25 P 0.04 E 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 178.040 CA :: 59.054 CB :: 27.126 CG :: 32.836 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 :: 8.572 HA :: 4.022 HB2 :: 2.176 HB3 :: 2.280 HG2 :: 2.389 HG3 :: 2.344 HE21 :: 7.740 HE22 :: 6.726 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.483 NE2 :: 111.813 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 175.926 CA :: 62.121 CB :: 61.244 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.696 HA :: 3.931 HB2 :: 3.274 HB3 :: 2.482(S) 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 :: 116.103 Ave N Shift Values>> N :: 116.3(3.95) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.26 I 0.06 V 0.02 HN Overlap>> 1.I7 1.I7 C Shift Assignments>> C :: 178.686 CA :: 56.019 CB :: 18.790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.739 HA :: 4.075 HB1 :: 1.792 HB2 :: 1.792 HB3 :: 1.792 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.319 Ave N Shift Values>> N :: 123.23(3.7) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 178.131 CA :: 63.418 CB :: 39.119 CG1 :: 29.745 CG2 :: 17.493 CD1 :: 14.850 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 :: 7.991 HA :: 3.857 HB :: 1.768 HG12 :: 0.760 HG13 :: 1.848 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 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 :: 117.981 Ave N Shift Values>> N :: 121.6(4.72) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.23 K 0.13 Q 0.05 M 0.03 HN Overlap>> 1.Y84 1.Y84 C Shift Assignments>> C :: 178.564 CA :: 58.594 CB :: 29.278 CG :: 36.307 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 :: 7.988 HA :: 3.902 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.471 HG3 :: 2.269 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 :: 118.190 Ave N Shift Values>> N :: 120.68(3.68) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.19 R 0.14 A 0.05 C Shift Assignments>> C :: 177.496 CA :: 55.810 CB :: 43.746 CG :: 26.678 CD1 :: 26.202 CD2 :: 22.311 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 :: 7.024 HA :: 4.347 HB2 :: 1.930 HB3 :: 1.695 HG :: 1.909 HD11 :: 1.101 HD12 :: 1.101 HD13 :: 1.101 HD21 :: 1.033 HD22 :: 1.033 HD23 :: 1.033 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.109 Ave N Shift Values>> N :: 121.98(4.07) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.18 Y 0.03 F 0.02 G 0.02 L 0.02 C Shift Assignments>> C :: 172.512 CA :: 49.457 CB :: 38.936 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 :: 8.270 HA :: 5.068 HB2 :: 2.943 HB3 :: 2.723 HD21 :: 7.693 HD22 :: 7.052 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 :: 116.544 ND2 :: 109.877 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.054 CA :: 63.894 CB :: 31.935 CG :: 26.663 CD :: 50.310 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 :: 4.467 HB2 :: 1.968 HB3 :: 2.411 HG2 :: 2.076 HG3 :: 2.001 HD2 :: 3.942 HD3 :: 3.605 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.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 K 0.12 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 175.647 CA :: 53.273 CB :: 41.453 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 :: 7.326 HA :: 4.863 HB2 :: 2.866 HB3 :: 2.408 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 :: 114.579 Ave N Shift Values>> N :: 120.73(4.2) 1.S68 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 :: 56.422 CB :: 63.880 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.670 HA :: 4.315 HB2 :: 3.451 HB3 :: 4.334 HG :: 7.173 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.624 Ave N Shift Values>> N :: 116.3(3.95) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.083 CA :: 63.870 CB :: 30.612 CG :: 26.538 CD :: 51.154 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 :: 4.588 HB2 :: 1.332 HB3 :: 2.167 HG2 :: 1.686 HG3 :: 0.857 HD2 :: 3.489 HD3 :: 3.565 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.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.34 L 0.11 V 0.01 C Shift Assignments>> C :: 177.667 CA :: 54.025 CB :: 20.741 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.442 HA :: 3.679 HB1 :: 1.565 HB2 :: 1.565 HB3 :: 1.565 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.749 Ave N Shift Values>> N :: 123.23(3.7) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 G 0.01 HN Overlap>> 1.E30 1.M88 1.E30 1.M88 C Shift Assignments>> C :: 179.241 CA :: 58.602 CB :: 41.987 CG :: 27.110 CD1 :: 24.499 CD2 :: 24.780 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 :: 7.956 HA :: 3.883 HB2 :: 1.589 HB3 :: 1.765 HG :: 1.581 HD11 :: 0.997 HD12 :: 0.997 HD13 :: 0.997 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 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 :: 119.448 Ave N Shift Values>> N :: 121.98(4.07) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 R 0.13 E 0.12 I 0.05 M 0.01 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 178.432 CA :: 58.626 CB :: 27.557 CG :: 33.900 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 :: 7.464 HA :: 4.049 HB2 :: 2.154 HB3 :: 2.042 HG2 :: 2.389 HG3 :: 2.487 HE21 :: 7.496 HE22 :: 6.872 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 :: 117.976 NE2 :: 111.837 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 I 0.03 C Shift Assignments>> C :: 178.775 CA :: 54.688 CB :: 17.473 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.296 HA :: 4.017 HB1 :: 0.992 HB2 :: 0.992 HB3 :: 0.992 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.083 Ave N Shift Values>> N :: 123.23(3.7) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.24 K 0.05 L 0.01 C Shift Assignments>> C :: 177.297 CA :: 59.805 CB :: 29.773 CG :: 27.548 CD :: 43.736 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 :: 8.328 HA :: 3.820 HB2 :: 1.989 HB3 :: 1.758 HG2 :: 1.716 HG3 :: 1.716 HD2 :: 3.136 HD3 :: 3.058 HE :: 7.441 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 :: 117.535 NE :: 83.882 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.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 178.071 CA :: 59.488 CB :: 31.928 CG :: 24.933 CD :: 28.863 CE :: 41.998 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 :: 7.123 HA :: 3.960 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.445 HG3 :: 1.541 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 2.989 HE3 :: 2.989 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 :: 119.136 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.02 I 0.01 C Shift Assignments>> C :: 178.925 CA :: 58.637 CB :: 32.344 CG :: 31.935 CE :: 17.212 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.673 HA :: 4.205 HB2 :: 2.145 HB3 :: 2.261 HG2 :: 2.751 HG3 :: 2.565 HE1 :: 2.072 HE2 :: 2.072 HE3 :: 2.072 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 :: 116.794 Ave N Shift Values>> N :: 120.1(3.88) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> C :: 177.318 CA :: 66.468 CB :: 31.477 CG1 :: 22.756 CG2 :: 24.052 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 :: 7.928 HA :: 3.601 HB :: 2.347 HG11 :: 1.179 HG12 :: 1.179 HG13 :: 1.179 HG21 :: 1.327 HG22 :: 1.327 HG23 :: 1.327 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.999 Ave N Shift Values>> N :: 121.02(4.96) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.01 A 0.01 C Shift Assignments>> C :: 178.542 CA :: 58.514 CB :: 31.036 CG :: 32.357 CE :: 16.189 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 :: 8.446 HA :: 4.136 HB2 :: 2.232 HB3 :: 2.112 HG2 :: 2.746 HG3 :: 2.557 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.079 Ave N Shift Values>> N :: 120.1(3.88) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.11 L 0.09 I 0.08 K 0.04 N 0.03 E 0.01 HN Overlap>> 1.D87 1.Y89 1.D87 1.Y89 C Shift Assignments>> C :: 179.097 CA :: 57.277 CB :: 39.813 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 :: 8.202 HA :: 4.419 HB2 :: 2.870 HB3 :: 2.597 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 :: 119.422 Ave N Shift Values>> N :: 120.73(4.2) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.024 CA :: 64.717 CB :: 37.661 CG1 :: 28.869 CG2 :: 16.183 CD1 :: 13.529 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 :: 7.625 HA :: 3.643 HB :: 1.668 HG12 :: 1.582 HG13 :: 0.862 HG21 :: 0.249 HG22 :: 0.249 HG23 :: 0.249 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 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 :: 121.750 Ave N Shift Values>> N :: 121.6(4.72) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 A 0.01 HN Overlap>> 1.E93 1.E93 C Shift Assignments>> C :: 178.852 CA :: 57.329 CB :: 41.544 CG :: 26.659 CD1 :: 25.779 CD2 :: 22.760 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 :: 8.071 HA :: 3.908 HB2 :: 1.750 HB3 :: 1.406 HG :: 1.592 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 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 :: 119.850 Ave N Shift Values>> N :: 121.98(4.07) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 Y 0.21 D 0.16 F 0.16 E 0.06 L 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 176.440 CA :: 55.011 CB :: 38.461 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 :: 8.188 HA :: 4.417 HB2 :: 2.704 HB3 :: 2.704 HD21 :: 7.452 HD22 :: 6.785 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 :: 116.186 ND2 :: 111.915 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 176.767 CA :: 59.557 CB :: 38.944 CD1 :: 131.362 CE1 :: 131.223 CZ :: 129.489 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 :: 7.779 HA :: 4.352 HB2 :: 3.030 HB3 :: 3.030 HD1 :: 6.883 HD2 :: 6.883 HE1 :: 7.185 HE2 :: 7.185 HZ :: 7.174 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 :: 118.925 Ave N Shift Values>> N :: 120.69(4.18) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 176.233 CA :: 59.261 CB :: 38.503 CD1 :: 133.003 CE1 :: 118.114 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 :: 8.057 HA :: 4.388 HB2 :: 2.899 HB3 :: 3.138 HD1 :: 7.175 HD2 :: 7.175 HE1 :: 6.846 HE2 :: 6.846 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 :: 118.223 Ave N Shift Values>> N :: 120.79(4.69) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.19 Y 0.1 F 0.08 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.N90 1.N90 C Shift Assignments>> C :: 175.367 CA :: 53.261 CB :: 38.501 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 :: 8.192 HA :: 4.679 HB2 :: 2.890 HB3 :: 2.774 HD21 :: 7.614 HD22 :: 6.947 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 :: 118.935 ND2 :: 111.862 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.04 G 0.01 C Shift Assignments>> C :: 176.981 CA :: 57.714 CB :: 32.368 CG :: 24.471 CD :: 28.849 CE :: 41.985 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 :: 8.151 HA :: 4.151 HB2 :: 1.833 HB3 :: 1.833 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.971 HE3 :: 2.971 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 :: 121.533 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.18 F 0.16 Y 0.14 K 0.12 N 0.08 R 0.02 I 0.01 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> C :: 177.209 CA :: 55.538 CB :: 40.677 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 :: 8.269 HA :: 4.553 HB2 :: 2.604 HB3 :: 2.703 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 :: 119.408 Ave N Shift Values>> N :: 120.73(4.2) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 A 0.11 HN Overlap>> 1.E30 1.E30 1.L71 1.L71 C Shift Assignments>> C :: 176.851 CA :: 56.461 CB :: 32.371 CG :: 31.920 CE :: 16.622 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.941 HA :: 4.257 HB2 :: 1.900 HB3 :: 1.900 HG2 :: 2.346 HG3 :: 2.346 HE1 :: 1.997 HE2 :: 1.997 HE3 :: 1.997 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.377 Ave N Shift Values>> N :: 120.1(3.88) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> C :: 176.252 CA :: 59.097 CB :: 38.051 CD1 :: 133.001 CE1 :: 118.128 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 :: 8.094 HA :: 4.350 HB2 :: 2.903 HB3 :: 3.120 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.759 HE2 :: 6.759 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 :: 119.418 Ave N Shift Values>> N :: 120.79(4.69) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 Y 0.13 F 0.1 L 0.03 E 0.03 M 0.01 I 0.01 HN Overlap>> 1.N85 1.N85 C Shift Assignments>> C :: 175.907 CA :: 53.867 CB :: 38.479 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 :: 8.244 HA :: 4.573 HB2 :: 2.816 HB3 :: 2.816 HD21 :: 7.708 HD22 :: 6.902 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 :: 118.918 ND2 :: 112.346 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.13 R 0.09 M 0.07 I 0.01 C Shift Assignments>> C :: 176.568 CA :: 56.600 CB :: 28.859 CG :: 33.684 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 :: 8.176 HA :: 4.216 HB2 :: 2.157 HB3 :: 2.037 HG2 :: 2.375 HG3 :: 2.375 HE21 :: 7.487 HE22 :: 6.831 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.648 NE2 :: 112.301 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.07 A 0.03 G 0.01 C Shift Assignments>> C :: 177.661 CA :: 55.550 CB :: 41.994 CG :: 26.695 CD1 :: 25.090 CD2 :: 23.150 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 :: 8.015 HA :: 4.214 HB2 :: 1.631 HB3 :: 1.481 HG :: 1.640 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 121.059 Ave N Shift Values>> N :: 121.98(4.07) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 K 0.18 Q 0.13 M 0.11 I 0.06 HN Overlap>> 1.L81 1.L81 1.K8 1.K8 C Shift Assignments>> C :: 176.461 CA :: 56.838 CB :: 29.803 CG :: 35.868 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 :: 4.099 HB2 :: 1.831 HB3 :: 1.831 HG2 :: 2.127 HG3 :: 2.074 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 :: 119.896 Ave N Shift Values>> N :: 120.68(3.68) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.15 E 0.14 W 0.14 K 0.11 M 0.07 I 0.01 C Shift Assignments>> C :: 174.994 CA :: 56.075 CB :: 29.997 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 :: 8.134 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 :: 118.751 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 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 ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 93 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 408 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 687 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N43 HD22 = 5.447(S), Expected = 7.20, Std = 0.5200, ChiSquare = 7.4854e-04 1.G49 HA3 = 2.316(S), Expected = 3.93, Std = 0.4000, ChiSquare = 5.4602e-05 1.K53 HB2 = 0.682(S), Expected = 1.79, Std = 0.2500, ChiSquare = 9.3363e-06 1.K53 HB3 = 0.363(S), Expected = 1.78, Std = 0.2600, ChiSquare = 5.0370e-08 1.S60 HB3 = 2.482(S), Expected = 3.87, Std = 0.3100, ChiSquare = 7.5551e-06