K1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.36 M 0.03 G 0.02 C Shift Assignments>> C :: 174.577 CA :: 56.563 CB :: 33.449 CG :: 25.126 CD :: 29.405 CE :: 42.441 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 :: 8.366 HA :: 4.275 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.431 HG3 :: 1.382 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.503 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.23 C Shift Assignments>> C :: 174.210 CA :: 55.884 CB :: 33.311 CG :: 32.565 CE :: 17.481 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 :: 8.503 HA :: 4.463 HB2 :: 2.065 HB3 :: 1.985 HG2 :: 2.592 HG3 :: 2.520 HE :: 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 :: 122.457 Ave N Shift Values>> N :: 120.1(3.88) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> R109 C Shift Assignments>> C :: 172.247 CA :: 58.636 CB :: 64.194 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.349 HA :: 4.408 HB2 :: 3.840 HB3 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.245 Ave N Shift Values>> N :: 116.3(3.95) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.23 K 0.06 I 0.05 Q 0.04 C Shift Assignments>> C :: 174.187 CA :: 56.442 CB :: 30.977 CG :: 36.501 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 :: 8.376 HA :: 4.273 HB2 :: 2.009 HB3 :: 1.909 HG2 :: 2.230 HG3 :: 2.230 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.041 Ave N Shift Values>> N :: 120.68(3.68) K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.42 M 0.03 G 0.03 HN Overlap>> R37 C Shift Assignments>> C :: 174.045 CA :: 56.908 CB :: 33.630 CG :: 25.455 CD :: 29.537 CE :: 42.638 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 :: 8.328 HA :: 4.207 HB2 :: 1.670 HB3 :: 1.670 HG2 :: 1.382 HG3 :: 1.302 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.937 HE3 :: 2.937 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 :: 122.908 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 R 0.22 G 0.16 C Shift Assignments>> C :: 173.146 CA :: 54.516 CB :: 43.628 CG :: 27.693 CD1 :: 24.599 CD2 :: 25.850 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.122 HA :: 4.388 HB2 :: 1.540 HB3 :: 1.400 HG :: 1.350 HD1 :: 0.824 HD2 :: 0.690 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.488 Ave N Shift Values>> N :: 121.98(4.07) R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.17 K 0.11 L 0.01 C Shift Assignments>> C :: 172.815 CA :: 56.310 CB :: 30.148 CG :: 27.693 CD :: 43.692 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 :: 8.242 HA :: 4.303 HB2 :: 1.690 HB3 :: 1.623 HG2 :: 1.520 HG3 :: 1.390 HD2 :: 3.110 HD3 :: 3.110 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.967 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 173.879 CA :: 60.224 CB :: 40.432 CG1 :: 28.747 CG2 :: 19.220 CD1 :: 15.843 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 :: 8.297 HA :: 4.638 HB :: 1.420 HG2 :: 0.703 HG12 :: 1.359 HG13 :: 0.620 HD1 :: 0.480 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.640 Ave N Shift Values>> N :: 121.6(4.72) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.31 G 0.03 M 0.02 C Shift Assignments>> C :: 173.702 CA :: 53.992 CB :: 36.116 CG :: 24.731 CD :: 28.944 CE :: 42.112 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 :: 8.607 HA :: 4.790 HB2 :: 1.710 HB3 :: 1.550 HG2 :: 1.300 HG3 :: 1.242 HD2 :: 1.611 HD3 :: 1.611 HE2 :: 2.935 HE3 :: 2.847 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 :: 126.513 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.382 CA :: 61.421 CB :: 30.644 CG1 :: 23.830 CG2 :: 21.138 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 :: 9.906 HA :: 5.282 HB :: 2.306 HG1 :: 1.082 HG2 :: 0.847 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 :: 125.895 Ave N Shift Values>> N :: 121.02(4.96) D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.14 N 0.1 F 0.07 Y 0.05 R 0.05 C Shift Assignments>> C :: 173.643 CA :: 53.651 CB :: 41.528 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 :: 8.278 HA :: 4.705 HB2 :: 2.947 HB3 :: 2.382 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.046 Ave N Shift Values>> N :: 120.73(4.2) D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.19 R 0.06 D 0.01 C Shift Assignments>> C :: 172.117 CA :: 54.536 CB :: 45.273 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 :: 7.809 HA :: 4.977 HB2 :: 2.263 HB3 :: 2.659 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 :: 116.786 Ave N Shift Values>> N :: 120.73(4.2) V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 HN Overlap>> M84 C Shift Assignments>> C :: 173.160 CA :: 61.599 CB :: 35.793 CG1 :: 22.080 CG2 :: 20.900 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 :: 7.969 HA :: 4.827 HB :: 1.788 HG1 :: 0.588 HG2 :: 0.795 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.355 Ave N Shift Values>> N :: 121.02(4.96) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.03 G 0.01 HN Overlap>> L28 C Shift Assignments>> C :: 172.767 CA :: 54.753 CB :: 35.504 CG :: 24.862 CD :: 29.339 CE :: 41.980 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 :: 9.073 HA :: 4.634 HB2 :: 1.610 HB3 :: 1.520 HG2 :: 1.240 HG3 :: 1.140 HD2 :: 1.420 HD3 :: 1.230 HE2 :: 2.658 HE3 :: 2.603 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.678 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.016 CA :: 62.234 CB :: 38.649 CG1 :: 28.549 CG2 :: 18.608 CD1 :: 13.960 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 :: 8.900 HA :: 4.148 HB :: 1.760 HG2 :: 0.765 HG12 :: 1.460 HG13 :: 0.880 HD1 :: 0.739 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.492 Ave N Shift Values>> N :: 121.6(4.72) N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.28 L 0.05 Y 0.04 F 0.04 C Shift Assignments>> C :: 171.200 CA :: 51.568 CB :: 39.500 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 :: 8.177 HA :: 5.070 HB2 :: 2.464 HB3 :: 2.528 HD21 :: 5.968 HD22 :: 7.148 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 :: 128.436 ND2 :: 112.825 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.281 CA :: 65.929 CB :: 32.762 CG :: 28.286 CD :: 51.100 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 :: 4.217 HB2 :: 2.363 HB3 :: 1.718 HG2 :: 2.025 HG3 :: 1.910 HD2 :: 3.732 HD3 :: 3.500 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) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.4 G 0.02 M 0.01 C Shift Assignments>> C :: 173.784 CA :: 56.227 CB :: 34.667 CG :: 25.455 CD :: 29.076 CE :: 42.507 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 :: 8.204 HA :: 4.044 HB2 :: 1.590 HB3 :: 1.770 HG2 :: 1.310 HG3 :: 1.185 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.287 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 170.804 CA :: 56.797 CB :: 40.306 CD1 :: 134.260 CD2 :: 134.260 CE1 :: 117.774 CE2 :: 117.774 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.303 HA :: 4.984 HB2 :: 3.390 HB3 :: 2.917 HD1 :: 6.830 HD2 :: 6.830 HE1 :: 6.690 HE2 :: 6.690 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.182 Ave N Shift Values>> N :: 120.79(4.69) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.843 CA :: 62.103 CB :: 34.441 CG1 :: 21.660 CG2 :: 23.050 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 :: 8.350 HA :: 4.556 HB :: 2.030 HG1 :: 0.439 HG2 :: 0.983 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 :: 119.462 Ave N Shift Values>> N :: 121.02(4.96) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.37 HN Overlap>> K21 C Shift Assignments>> C :: 172.799 CA :: 53.461 CB :: 46.413 CG :: 26.800 CD1 :: 25.989 CD2 :: 24.800 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.072 HA :: 4.943 HB2 :: 1.458 HB3 :: 1.868 HG :: 1.660 HD1 :: 0.862 HD2 :: 0.920 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.700 Ave N Shift Values>> N :: 121.98(4.07) Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.419 CA :: 58.494 CB :: 39.692 CD1 :: 132.910 CD2 :: 132.910 CE1 :: 117.365 CE2 :: 117.365 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.497 HA :: 4.610 HB2 :: 3.222 HB3 :: 2.771 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 6.870 HE2 :: 6.870 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 :: 121.897 Ave N Shift Values>> N :: 120.79(4.69) G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 168.600 CA :: 47.055 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.297 HA2 :: 3.550 HA3 :: 2.626 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.452 Ave N Shift Values>> N :: 109.91(4.29) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.148 CA :: 61.798 CB :: 32.960 CG1 :: 22.990 CG2 :: 22.120 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 :: 8.951 HA :: 4.401 HB :: 2.095 HG1 :: 0.788 HG2 :: 1.083 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 :: 125.754 Ave N Shift Values>> N :: 121.02(4.96) S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.484 CA :: 58.041 CB :: 64.632 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.705 HA :: 5.170 HB2 :: 3.820 HB3 :: 3.745 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.317 Ave N Shift Values>> N :: 116.3(3.95) T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 HN Overlap>> R109 C Shift Assignments>> CA :: 59.633 CB :: 68.275 CG2 :: 22.520 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.551 HA :: 4.978 HB :: 4.543 HG2 :: 1.102 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.250 Ave N Shift Values>> N :: 115.7(5.05) P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.790 CA :: 66.080 CB :: 32.160 CG :: 29.076 CD :: 50.700 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 :: 4.268 HB2 :: 2.388 HB3 :: 1.730 HG2 :: 2.201 HG3 :: 1.981 HD2 :: 3.990 HD3 :: 3.610 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) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.17 K 0.09 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 172.495 CA :: 53.729 CB :: 40.903 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 :: 7.907 HA :: 4.790 HB2 :: 2.664 HB3 :: 2.783 HD21 :: 7.578 HD22 :: 6.965 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 :: 110.465 ND2 :: 112.695 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.32 M 0.04 G 0.03 C Shift Assignments>> C :: 171.595 CA :: 56.300 CB :: 35.870 CG :: 24.270 CD :: 29.405 CE :: 42.375 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 :: 7.567 HA :: 4.555 HB2 :: 1.750 HB3 :: 1.640 HG2 :: 1.250 HG3 :: 1.192 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.948 HE3 :: 2.948 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 :: 118.232 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 G 0.27 K 0.15 HN Overlap>> K12 C Shift Assignments>> C :: 172.874 CA :: 55.389 CB :: 32.388 CG :: 27.891 CD :: 43.995 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 :: 8.324 HA :: 5.200 HB2 :: 1.718 HB3 :: 1.598 HG2 :: 1.095 HG3 :: 0.926 HD2 :: 3.003 HD3 :: 2.850 HE :: 7.580 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.910 NE :: 124.840 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.29 R 0.03 C Shift Assignments>> C :: 173.016 CA :: 53.575 CB :: 45.361 CG :: 27.400 CD1 :: 26.580 CD2 :: 24.467 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 :: 8.869 HA :: 4.692 HB2 :: 1.404 HB3 :: 1.404 HG :: 1.420 HD1 :: 0.668 HD2 :: 0.755 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.475 Ave N Shift Values>> N :: 121.98(4.07) Y39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.574 CA :: 58.582 CB :: 40.210 CD1 :: 132.770 CD2 :: 132.770 CE1 :: 117.840 CE2 :: 117.840 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 :: 8.831 HA :: 5.310 HB2 :: 2.864 HB3 :: 2.698 HD1 :: 6.890 HD2 :: 6.890 HE1 :: 6.620 HE2 :: 6.620 HH :: 5.310(M) 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 :: 120.435 Ave N Shift Values>> N :: 120.79(4.69) K40 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.86 G 0.06 K 0.04 A 0.02 M 0.01 C Shift Assignments>> C :: 174.825 CA :: 53.923 CB :: 39.215(S) CG :: 24.731 CD :: 30.000 CE :: 42.000 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 :: 9.118 HA :: 4.935 HB2 :: 1.460 HB3 :: 1.830 HG2 :: 1.060 HG3 :: 0.720 HD2 :: 1.330 HD3 :: 0.690(S) HE2 :: 1.970(S) HE3 :: 1.100(M) 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 :: 122.295 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) (HE3 > HD2 : 0.9989) R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.25 G 0.19 C Shift Assignments>> C :: 176.765 CA :: 56.024 CB :: 32.461 CG :: 28.220 CD :: 43.758 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 :: 9.526 HA :: 5.302 HB2 :: 2.472 HB3 :: 1.920 HG2 :: 1.812 HG3 :: 1.718 HD2 :: 2.765 HD3 :: 2.765 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.309 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.647 CA :: 63.447 CB :: 39.121 CD1 :: 132.400 CD2 :: 132.400 CE1 :: 117.690 CE2 :: 117.690 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 :: 10.479 HA :: 4.559 HB2 :: 3.500 HB3 :: 3.380 HD1 :: 6.920 HD2 :: 6.920 HE1 :: 6.500 HE2 :: 6.500 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.784 Ave N Shift Values>> N :: 120.79(4.69) S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.235 CA :: 61.528 CB :: 62.484 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.237 HA :: 4.190 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.455 Ave N Shift Values>> N :: 116.3(3.95) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 I 0.16 E 0.15 R 0.13 V 0.11 Q 0.07 K 0.06 M 0.03 P 0.03 HN Overlap>> D105 C Shift Assignments>> C :: 178.150 CA :: 60.195 CB :: 30.247 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 :: 7.895 HA :: 4.200 HB2 :: 2.480 HB3 :: 2.242 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 :: 121.118 Ave N Shift Values>> N :: 120.68(3.68) F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> E98 C Shift Assignments>> C :: 174.825 CA :: 61.816 CB :: 39.083 CD1 :: 133.215 CD2 :: 133.215 CE1 :: 131.922 CE2 :: 131.922 CZ :: 129.310 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 :: 8.117 HA :: 4.227 HB2 :: 3.370 HB3 :: 2.920 HD1 :: 7.580 HD2 :: 7.580 HE1 :: 7.440 HE2 :: 7.440 HZ :: 7.150 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.234 Ave N Shift Values>> N :: 120.69(4.18) W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.964 CA :: 60.737 CB :: 29.407 CD1 :: 126.763 CE3 :: 120.371 CZ2 :: 115.096 CZ3 :: 121.664 CH2 :: 124.550 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.741 HA :: 3.782 HB2 :: 3.223 HB3 :: 2.870 HD1 :: 7.020 HE1 :: 10.050 HE3 :: 7.100 HZ2 :: 7.400 HZ3 :: 6.888 HH2 :: 7.080 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 :: 119.973 NE1 :: 129.597 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.47 G 0.03 M 0.01 HN Overlap>> I85 C Shift Assignments>> C :: 176.079 CA :: 59.605 CB :: 32.627 CG :: 26.047 CD :: 29.800 CE :: 42.441 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 :: 8.316 HA :: 3.823 HB2 :: 1.944 HB3 :: 1.840 HG2 :: 1.650 HG3 :: 1.466 HD2 :: 1.720 HD3 :: 1.670 HE2 :: 2.973 HE3 :: 2.973 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 :: 119.188 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 174.849 CA :: 58.856 CB :: 40.890 CG :: 26.900 CD1 :: 23.550 CD2 :: 24.430 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 :: 7.240 HA :: 3.901 HB2 :: 1.868 HB3 :: 1.070 HG :: 1.150 HD1 :: 0.530 HD2 :: 0.025 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 :: 120.170 Ave N Shift Values>> N :: 121.98(4.07) K49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.71 R 0.24 G 0.02 M 0.02 C Shift Assignments>> C :: 175.286 CA :: 60.969 CB :: 32.413 CG :: 24.731 CD :: 29.142 CE :: 42.046 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 :: 7.384 HA :: 3.506 HB2 :: 1.210 HB3 :: 1.100 HG2 :: 0.760 HG3 :: 0.720 HD2 :: 0.500(S) HD3 :: 0.450(S) HE2 :: 2.290 HE3 :: 2.290 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 :: 117.887 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.700 CA :: 65.793 CB :: 69.135 CG2 :: 21.702 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 :: 7.893 HA :: 3.772 HB :: 3.870 HG2 :: 0.755 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 :: 130.830 Ave N Shift Values>> N :: 115.7(5.05) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.18 K 0.13 C Shift Assignments>> C :: 177.238 CA :: 59.468 CB :: 30.265 CG :: 28.220 CD :: 43.560 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 :: 8.487 HA :: 4.010 HB2 :: 1.900 HB3 :: 1.900 HG2 :: 1.810 HG3 :: 1.650 HD2 :: 3.190 HD3 :: 3.100 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.327 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 L 0.25 K 0.08 G 0.05 C Shift Assignments>> C :: 176.883 CA :: 58.791 CB :: 42.507 CG :: 27.200 CD1 :: 27.957 CD2 :: 26.113 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 :: 8.620 HA :: 4.118 HB2 :: 2.383 HB3 :: 1.755 HG :: 2.000 HD1 :: 0.880 HD2 :: 1.115 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 :: 119.809 Ave N Shift Values>> N :: 121.98(4.07) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 E 0.2 C Shift Assignments>> C :: 178.527 CA :: 60.646 CB :: 29.704 CG :: 38.300 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 :: 8.007 HA :: 4.476 HB2 :: 2.088 HB3 :: 1.898 HG2 :: 2.800 HG3 :: 2.640 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.958 Ave N Shift Values>> N :: 120.68(3.68) R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.09 C Shift Assignments>> C :: 176.019 CA :: 58.880 CB :: 30.388 CG :: 27.364 CD :: 43.692 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.754 HA :: 4.062 HB2 :: 1.980 HB3 :: 1.915 HG2 :: 1.780 HG3 :: 1.650 HD2 :: 3.178 HD3 :: 3.178 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 :: 119.813 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 R 0.19 L 0.18 F 0.15 Y 0.11 D 0.06 I 0.02 C Shift Assignments>> C :: 176.197 CA :: 57.746 CB :: 42.178 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 :: 8.344 HA :: 4.364 HB2 :: 2.680 HB3 :: 2.640 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 :: 120.180 Ave N Shift Values>> N :: 120.73(4.2) V56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.752 CA :: 64.523 CB :: 32.205 CG1 :: 21.495 CG2 :: 23.122 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 :: 8.665 HA :: 3.555 HB :: 1.625 HG1 :: -0.105(S) HG2 :: 0.338 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 :: 118.524 Ave N Shift Values>> N :: 121.02(4.96) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 172.247 CA :: 46.181 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.755 HA2 :: 4.094 HA3 :: 3.744 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.39 Ave N Shift Values>> N :: 109.91(4.29) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 170.270 CA :: 57.082 CB :: 66.211 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.443 HA :: 4.728 HB2 :: 3.875 HB3 :: 3.722 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.664 Ave N Shift Values>> N :: 116.3(3.95) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> N97 C Shift Assignments>> C :: 172.614 CA :: 62.785 CB :: 69.700 CG2 :: 22.380 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 :: 8.108 HA :: 4.112 HB :: 3.884 HG2 :: 1.180 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 :: 115.632 Ave N Shift Values>> N :: 115.7(5.05) I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 173.300 CA :: 59.629 CB :: 39.960 CG1 :: 29.800 CG2 :: 18.060 CD1 :: 16.040 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.829 HA :: 3.380 HB :: 1.287 HG2 :: 0.750 HG12 :: 0.340 HG13 :: 0.160 HD1 :: 0.730 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 :: 130.351 Ave N Shift Values>> N :: 121.6(4.72) P61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.702 CA :: 63.509 CB :: 31.512 CG :: 26.311 CD :: 51.700 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 :: 4.275 HB2 :: 1.862 HB3 :: 1.580 HG2 :: 1.730 HG3 :: 0.498(S) HD2 :: 3.170 HD3 :: 3.170 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) Y62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.160 CA :: 55.169 CB :: 39.993 CD1 :: 132.219 CD2 :: 132.219 CE1 :: 118.190 CE2 :: 118.190 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 :: 5.626(M) HA :: 4.700 HB2 :: 3.521 HB3 :: 2.405 HD1 :: 6.590 HD2 :: 6.590 HE1 :: 6.460 HE2 :: 6.460 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 :: 119.266 Ave N Shift Values>> N :: 120.79(4.69) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.21 K 0.2 F 0.13 Y 0.1 R 0.06 N 0.04 I 0.01 C Shift Assignments>> C :: 172.696 CA :: 55.629 CB :: 41.339 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 :: 9.138 HA :: 4.441 HB2 :: 2.620 HB3 :: 2.620 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.850 Ave N Shift Values>> N :: 120.73(4.2) F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.91 G 0.08 C Shift Assignments>> C :: 172.300 CA :: 55.941 CB :: 42.747 CD1 :: 131.590 CD2 :: 131.590 CE1 :: 131.270 CE2 :: 131.270 CZ :: 128.221 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 :: 8.376 HA :: 4.410 HB2 :: 2.920 HB3 :: 2.510 HD1 :: 6.170 HD2 :: 6.170 HE1 :: 6.730 HE2 :: 6.730 HZ :: 6.460 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 :: 125.560 Ave N Shift Values>> N :: 120.69(4.18) P65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 172.465 CA :: 63.509 CB :: 30.788 CG :: 27.759 CD :: 49.450 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 :: 4.418 HB2 :: 1.960 HB3 :: 1.900 HG2 :: 1.382 HG3 :: 1.382 HD2 :: 2.750 HD3 :: 1.530(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.34 Q 0.04 I 0.03 K 0.03 C Shift Assignments>> C :: 173.502 CA :: 56.530 CB :: 31.775 CG :: 36.318 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 :: 7.953 HA :: 4.348 HB2 :: 2.047 HB3 :: 1.977 HG2 :: 2.232 HG3 :: 2.232 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 :: 122.582 Ave N Shift Values>> N :: 120.68(3.68) K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.24 M 0.06 G 0.01 C Shift Assignments>> C :: 172.300 CA :: 54.540 CB :: 32.950 CG :: 24.800 CD :: 29.500 CE :: 42.100 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 :: 8.530 HA :: 4.430 HB2 :: 1.710 HB3 :: 1.605 HG2 :: 1.320 HG3 :: 1.320 HD2 :: 1.580 HD3 :: 1.580 HE2 :: 2.830 HE3 :: 2.830 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.535 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.345 CA :: 63.638 CB :: 32.414 CG :: 27.825 CD :: 50.736 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 :: 4.350 HB2 :: 2.200 HB3 :: 1.837 HG2 :: 1.880 HG3 :: 1.810 HD2 :: 3.618 HD3 :: 3.374 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) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 172.401 CA :: 45.642 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.603 HA2 :: 3.927 HA3 :: 3.927 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.77 Ave N Shift Values>> N :: 109.91(4.29) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.326 CA :: 63.127 CB :: 32.755 CG1 :: 21.437 CG2 :: 20.958 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 :: 7.771 HA :: 3.864 HB :: 1.968 HG1 :: 0.822 HG2 :: 0.822 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 :: 118.266 Ave N Shift Values>> N :: 121.02(4.96) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.16 G 0.02 A 0.01 HN Overlap>> K122 C Shift Assignments>> C :: 174.813 CA :: 55.523 CB :: 42.175 CG :: 27.364 CD1 :: 25.323 CD2 :: 23.743 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 :: 8.280 HA :: 4.283 HB2 :: 1.600 HB3 :: 1.540 HG :: 1.530 HD1 :: 0.848 HD2 :: 0.778 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.828 Ave N Shift Values>> N :: 121.98(4.07) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.2 R 0.17 K 0.15 F 0.06 Y 0.04 N 0.03 G 0.01 C Shift Assignments>> C :: 174.896 CA :: 54.444 CB :: 42.466 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 :: 8.079 HA :: 4.541 HB2 :: 2.779 HB3 :: 2.613 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.783 Ave N Shift Values>> N :: 120.73(4.2) R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.15 K 0.12 L 0.01 C Shift Assignments>> C :: 175.381 CA :: 57.805 CB :: 30.219 CG :: 27.496 CD :: 43.560 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 :: 8.472 HA :: 4.114 HB2 :: 1.810 HB3 :: 1.740 HG2 :: 1.600 HG3 :: 1.600 HD2 :: 3.140 HD3 :: 3.140 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.128 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.08 L 0.01 C Shift Assignments>> C :: 174.979 CA :: 57.979 CB :: 30.313 CG :: 27.232 CD :: 43.758 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 :: 8.483 HA :: 4.002 HB2 :: 1.420 HB3 :: 1.420 HG2 :: 1.300 HG3 :: 1.300 HD2 :: 3.020 HD3 :: 2.900 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 :: 119.831 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.126 CA :: 57.327 CB :: 29.802 CD1 :: 127.490 CE3 :: 121.140 CZ2 :: 114.720 CZ3 :: 122.040 CH2 :: 124.540 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.721 HA :: 4.720 HB2 :: 3.380 HB3 :: 3.230 HD1 :: 7.240 HE1 :: 10.070 HE3 :: 7.526 HZ2 :: 7.410 HZ3 :: 7.068 HH2 :: 7.118 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.812 NE1 :: 129.149 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.19 M 0.07 R 0.05 I 0.01 HN Overlap>> D86 F95 C Shift Assignments>> C :: 173.773 CA :: 56.134 CB :: 29.122 CG :: 34.145 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 :: 7.885 HA :: 4.214 HB2 :: 2.070 HB3 :: 1.840 HG2 :: 2.152 HG3 :: 2.152 HE21 :: 6.803 HE22 :: 7.390 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 :: 119.642 NE2 :: 112.075 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.22 K 0.19 C Shift Assignments>> C :: 174.033 CA :: 56.230 CB :: 32.223 CG :: 27.957 CD :: 43.889 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.705 HA :: 4.340 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.640 HG3 :: 1.640 HD2 :: 3.158 HD3 :: 3.062 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.933 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.23 G 0.2 C Shift Assignments>> C :: 175.937 CA :: 56.832 CB :: 32.162 CG :: 28.352 CD :: 43.823 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 :: 8.674 HA :: 4.327 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.710 HG3 :: 1.710 HD2 :: 3.290 HD3 :: 3.162 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 :: 121.577 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 171.405 CA :: 59.856 CB :: 37.865 CD1 :: 133.310 CD2 :: 133.310 CE1 :: 117.850 CE2 :: 117.850 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 :: 8.583 HA :: 4.237 HB2 :: 3.080 HB3 :: 3.080 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 6.600 HE2 :: 6.600 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 :: 120.104 Ave N Shift Values>> N :: 120.79(4.69) D80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.61 D 0.24 Y 0.04 F 0.04 L 0.04 C Shift Assignments>> C :: 173.193 CA :: 51.335 CB :: 39.234 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 :: 7.527 HA :: 4.072 HB2 :: 2.495 HB3 :: 1.219(S) 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 :: 116.621 Ave N Shift Values>> N :: 120.73(4.2) D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.22 R 0.18 K 0.08 G 0.06 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 173.200 CA :: 53.050 CB :: 42.932 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 :: 7.240 HA :: 4.480 HB2 :: 2.730 HB3 :: 2.730 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.702 Ave N Shift Values>> N :: 120.73(4.2) P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.273 CA :: 65.556 CB :: 32.422 CG :: 27.759 CD :: 51.300 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 :: 4.067 HB2 :: 2.280 HB3 :: 1.970 HG2 :: 2.016 HG3 :: 2.016 HD2 :: 3.990 HD3 :: 3.740 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) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.42 K 0.03 M 0.03 C Shift Assignments>> C :: 176.847 CA :: 59.194 CB :: 29.894 CG :: 37.416 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 :: 8.050 HA :: 4.127 HB2 :: 2.041 HB3 :: 2.040 HG2 :: 2.334 HG3 :: 2.209 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 :: 118.731 Ave N Shift Values>> N :: 120.68(3.68) M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.02 I 0.02 HN Overlap>> V20 C Shift Assignments>> C :: 176.400 CA :: 58.654 CB :: 33.271 CG :: 32.170 CE :: 18.195 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 :: 7.968 HA :: 4.000 HB2 :: 2.196 HB3 :: 1.790 HG2 :: 2.445 HG3 :: 2.180 HE :: 1.957 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 :: 121.357 Ave N Shift Values>> N :: 120.1(3.88) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> K47 C Shift Assignments>> C :: 176.113 CA :: 65.043 CB :: 38.392 CG1 :: 28.900 CG2 :: 18.740 CD1 :: 14.110 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 :: 8.228 HA :: 3.865 HB :: 1.766 HG2 :: 0.958 HG12 :: 1.630 HG13 :: 1.100 HD1 :: 0.656 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 :: 119.154 Ave N Shift Values>> N :: 121.6(4.72) D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.21 Y 0.15 L 0.14 R 0.12 I 0.05 D 0.04 HN Overlap>> Q76 F95 C Shift Assignments>> C :: 175.854 CA :: 58.369 CB :: 41.763 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 :: 7.945 HA :: 4.520 HB2 :: 2.758 HB3 :: 2.645 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 :: 119.625 Ave N Shift Values>> N :: 120.73(4.2) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.37 K 0.05 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.609 CA :: 59.763 CB :: 30.091 CG :: 36.763 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 :: 7.885 HA :: 3.972 HB2 :: 2.180 HB3 :: 2.058 HG2 :: 2.395 HG3 :: 2.204 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 :: 117.737 Ave N Shift Values>> N :: 120.68(3.68) R88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 R 0.43 K 0.03 C Shift Assignments>> C :: 175.038 CA :: 60.906 CB :: 30.388 CG :: 28.944 CD :: 44.153 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 :: 8.378 HA :: 3.700 HB2 :: 2.110 HB3 :: 1.480 HG2 :: 1.590 HG3 :: 1.130 HD2 :: 2.760 HD3 :: 2.290(S) HE :: 6.720 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.997 NE :: 125.350 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.25 K 0.08 C Shift Assignments>> C :: 175.736 CA :: 61.229 CB :: 31.062 CG :: 27.298 CD :: 43.494 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 :: 9.162 HA :: 3.650 HB2 :: 2.325 HB3 :: 2.064 HG2 :: 1.775 HG3 :: 1.651 HD2 :: 3.450 HD3 :: 3.060 HE :: 7.363 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.950 NE :: 121.266 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.368 CA :: 64.781 CB :: 38.899 CG1 :: 29.800 CG2 :: 17.620 CD1 :: 13.838 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 :: 8.003 HA :: 3.717 HB :: 1.806 HG2 :: 0.928 HG12 :: 1.670 HG13 :: 1.153 HD1 :: 0.829 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 :: 117.402 Ave N Shift Values>> N :: 121.6(4.72) G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 P 0.02 A 0.02 C Shift Assignments>> C :: 175.050 CA :: 47.349 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.054 HA2 :: 3.855 HA3 :: 3.553 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.48 Ave N Shift Values>> N :: 109.91(4.29) L92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.93 A 0.04 C Shift Assignments>> C :: 176.161 CA :: 57.786 CB :: 41.267 CG :: 25.475 CD1 :: 24.100 CD2 :: 21.702 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.013 HA :: 3.793 HB2 :: 1.638 HB3 :: 0.533 HG :: 1.438 HD1 :: -0.546(S) HD2 :: -0.182(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 121.98(4.07) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 E 0.09 C Shift Assignments>> C :: 176.776 CA :: 61.770 CB :: 31.437 CG :: 38.853 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 :: 8.139 HA :: 3.675 HB2 :: 2.334 HB3 :: 2.230 HG2 :: 2.150 HG3 :: 2.080 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 :: 120.267 Ave N Shift Values>> N :: 120.68(3.68) R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.33 K 0.03 C Shift Assignments>> C :: 175.700 CA :: 60.258 CB :: 30.145 CG :: 27.562 CD :: 43.955 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 :: 8.159 HA :: 4.180 HB2 :: 2.012 HB3 :: 1.930 HG2 :: 1.800 HG3 :: 1.645 HD2 :: 3.265 HD3 :: 3.216 HE :: 7.380 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.838 NE :: 125.664 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> Q76 D86 C Shift Assignments>> C :: 174.056 CA :: 61.494 CB :: 39.654 CD1 :: 129.840 CD2 :: 129.840 CE1 :: 130.510 CE2 :: 130.510 CZ :: 128.790 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 :: 7.955 HA :: 4.328 HB2 :: 3.593 HB3 :: 3.085 HD1 :: 7.290 HD2 :: 7.290 HE1 :: 7.160 HE2 :: 7.160 HZ :: 6.800 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.626 Ave N Shift Values>> N :: 120.69(4.18) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 L 0.24 G 0.1 K 0.07 C Shift Assignments>> C :: 176.835 CA :: 57.813 CB :: 43.100 CG :: 28.088 CD1 :: 28.125 CD2 :: 23.480 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 :: 8.513 HA :: 3.825 HB2 :: 2.000 HB3 :: 1.465 HG :: 1.112 HD1 :: 1.110 HD2 :: 1.250 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.181 Ave N Shift Values>> N :: 121.98(4.07) N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.31 I 0.15 L 0.06 K 0.05 D 0.04 HN Overlap>> T59 C Shift Assignments>> C :: 175.937 CA :: 58.571 CB :: 40.005 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 :: 8.033 HA :: 4.222 HB2 :: 2.877 HB3 :: 2.577 HD21 :: 7.471 HD22 :: 8.049 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.652 ND2 :: 116.209 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.39 K 0.04 M 0.01 HN Overlap>> F45 C Shift Assignments>> C :: 175.227 CA :: 59.752 CB :: 29.188 CG :: 37.350 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 :: 8.115 HA :: 3.790 HB2 :: 1.710 HB3 :: 1.641 HG2 :: 2.542 HG3 :: 2.112 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 :: 119.221 Ave N Shift Values>> N :: 120.68(3.68) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 R 0.38 G 0.06 K 0.02 C Shift Assignments>> C :: 177.308 CA :: 58.758 CB :: 42.717 CG :: 27.298 CD1 :: 27.200 CD2 :: 23.600 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 :: 7.268 HA :: 3.173 HB2 :: 0.610 HB3 :: 1.050 HG :: 0.926 HD1 :: 0.375 HD2 :: -0.103 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 :: 118.861 Ave N Shift Values>> N :: 121.98(4.07) Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.126 CA :: 62.782 CB :: 38.179 CD1 :: 133.300 CD2 :: 133.300 CE1 :: 117.710 CE2 :: 117.710 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.965 HA :: 3.900 HB2 :: 2.990 HB3 :: 2.628 HD1 :: 7.350 HD2 :: 7.350 HE1 :: 6.560 HE2 :: 6.560 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 111.046 Ave N Shift Values>> N :: 120.79(4.69) N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.24 L 0.15 F 0.08 Y 0.07 K 0.05 C Shift Assignments>> C :: 172.602 CA :: 53.420 CB :: 40.509 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.215 HA :: 5.025 HB2 :: 2.930 HB3 :: 2.864 HD21 :: 6.947 HD22 :: 7.430 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.396 ND2 :: 112.972 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.18 F 0.17 Y 0.15 K 0.15 N 0.05 R 0.02 I 0.01 C Shift Assignments>> C :: 174.861 CA :: 55.926 CB :: 40.781 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.829 HA :: 4.550 HB2 :: 3.178 HB3 :: 3.099 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 :: 120.689 Ave N Shift Values>> N :: 120.73(4.2) R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.19 K 0.1 C Shift Assignments>> C :: 174.754 CA :: 56.945 CB :: 30.680 CG :: 27.101 CD :: 43.758 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 :: 8.503 HA :: 4.100 HB2 :: 1.526 HB3 :: 1.462 HG2 :: 1.400 HG3 :: 1.290 HD2 :: 3.050 HD3 :: 3.050 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 :: 125.581 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.757 CA :: 59.420 CB :: 40.455 CD1 :: 132.050 CD2 :: 132.050 CE1 :: 130.820 CE2 :: 130.820 CZ :: 129.620 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 :: 8.765 HA :: 4.631 HB2 :: 3.101 HB3 :: 3.299 HD1 :: 7.380 HD2 :: 7.380 HE1 :: 7.380 HE2 :: 7.380 HZ :: 7.300 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.814 Ave N Shift Values>> N :: 120.69(4.18) D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.17 K 0.07 F 0.06 Y 0.05 R 0.01 HN Overlap>> E44 C Shift Assignments>> C :: 172.892 CA :: 52.895 CB :: 40.895 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 :: 7.885 HA :: 4.888 HB2 :: 3.481 HB3 :: 2.509 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.210 Ave N Shift Values>> N :: 120.73(4.2) S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.413 CA :: 58.584 CB :: 64.428 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.475 HA :: 4.500 HB2 :: 4.036 HB3 :: 3.725 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.450 Ave N Shift Values>> N :: 116.3(3.95) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.22 K 0.12 C Shift Assignments>> C :: 175.535 CA :: 59.151 CB :: 31.046 CG :: 25.982 CD :: 43.758 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.753 HA :: 3.680 HB2 :: 1.042 HB3 :: 0.892 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 3.050 HD3 :: 3.050 HE :: 8.614 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 :: 117.969 NE :: 125.070 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W108 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.928 CA :: 57.782 CB :: 29.007 CD1 :: 130.320(M) CE3 :: 119.910 CZ2 :: 115.020 CZ3 :: 121.400 CH2 :: 125.340 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 :: 6.462 HA :: 3.923 HB2 :: 3.553 HB3 :: 3.150 HD1 :: 7.780 HE1 :: 10.170 HE3 :: 7.410 HZ2 :: 7.210 HZ3 :: 6.660 HH2 :: 6.990 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 :: 115.689 NE1 :: 130.018 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 G 0.38 L 0.07 K 0.05 HN Overlap>> S10 T33 C Shift Assignments>> C :: 173.654 CA :: 57.908 CB :: 29.545 CG :: 26.179 CD :: 44.416 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 :: 8.446 HA :: 3.646 HB2 :: 1.770 HB3 :: 1.675 HG2 :: 1.926 HG3 :: 1.578 HD2 :: 3.140 HD3 :: 3.140 HE :: 7.420 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 :: 117.265 NE :: 127.140 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 F 0.14 Y 0.12 K 0.12 N 0.09 R 0.02 I 0.01 C Shift Assignments>> C :: 175.476 CA :: 55.205 CB :: 40.701 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 :: 7.662 HA :: 4.618 HB2 :: 2.667 HB3 :: 2.565 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.446 Ave N Shift Values>> N :: 120.73(4.2) T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.945 CA :: 61.958 CB :: 71.821 CG2 :: 22.361 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 :: 7.269 HA :: 4.180 HB :: 4.470 HG2 :: 1.430 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 :: 130.618 Ave N Shift Values>> N :: 115.7(5.05) K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.35 G 0.03 M 0.02 C Shift Assignments>> C :: 176.989 CA :: 59.495 CB :: 32.291 CG :: 25.257 CD :: 29.405 CE :: 42.572 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 :: 8.598 HA :: 3.982 HB2 :: 1.815 HB3 :: 1.815 HG2 :: 1.490 HG3 :: 1.425 HD2 :: 1.720 HD3 :: 1.620 HE2 :: 3.020 HE3 :: 3.020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.550 CA :: 64.313 CB :: 38.876 CG1 :: 28.681 CG2 :: 18.608 CD1 :: 14.620 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 :: 7.717 HA :: 3.947 HB :: 1.689 HG2 :: 0.892 HG12 :: 1.606 HG13 :: 1.186 HD1 :: 0.888 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 :: 114.720 Ave N Shift Values>> N :: 121.6(4.72) A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 179.860 CA :: 55.477 CB :: 18.943 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.103 HA :: 4.160 HB :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.209 Ave N Shift Values>> N :: 123.23(3.7) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.26 E 0.25 I 0.12 R 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 176.528 CA :: 59.832 CB :: 28.792 CG :: 34.475 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 :: 8.272 HA :: 4.103 HB2 :: 2.206 HB3 :: 2.206 HG2 :: 2.575 HG3 :: 2.575 HE21 :: 6.762 HE22 :: 7.648 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.073 NE2 :: 112.731 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.15 D 0.14 K 0.13 I 0.04 N 0.03 R 0.02 C Shift Assignments>> C :: 177.935 CA :: 56.975 CB :: 40.595 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 :: 9.021 HA :: 4.476 HB2 :: 2.795 HB3 :: 2.634 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.985 Ave N Shift Values>> N :: 120.73(4.2) F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.702 CA :: 62.843 CB :: 39.658 CD1 :: 133.320 CD2 :: 133.320 CE1 :: 130.842 CE2 :: 130.842 CZ :: 128.720 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 :: 8.014 HA :: 4.150 HB2 :: 3.417 HB3 :: 3.128 HD1 :: 7.340 HD2 :: 7.340 HE1 :: 6.972 HE2 :: 6.972 HZ :: 5.888 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 :: 121.940 Ave N Shift Values>> N :: 120.69(4.18) L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.08 A 0.06 G 0.02 C Shift Assignments>> C :: 171.845 CA :: 53.261 CB :: 42.080 CG :: 26.900 CD1 :: 26.179 CD2 :: 23.282 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.302 HA :: 4.352 HB2 :: 1.595 HB3 :: 1.292 HG :: 1.830 HD1 :: 0.230 HD2 :: 0.533 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 :: 110.934 Ave N Shift Values>> N :: 121.98(4.07) Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 Q 0.29 R 0.1 E 0.09 I 0.04 M 0.03 C Shift Assignments>> C :: 173.855 CA :: 56.913 CB :: 26.202 CG :: 34.475 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 :: 7.716 HA :: 3.975 HB2 :: 2.110 HB3 :: 1.900 HG2 :: 2.353 HG3 :: 2.165 HE21 :: 6.771 HE22 :: 7.531 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.677 NE2 :: 111.740 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.2 G 0.05 A 0.03 C Shift Assignments>> C :: 175.960 CA :: 55.615 CB :: 42.799 CG :: 26.900 CD1 :: 26.377 CD2 :: 22.887 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 :: 8.212 HA :: 4.220 HB2 :: 1.688 HB3 :: 1.568 HG :: 1.540 HD1 :: 0.900 HD2 :: 0.759 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 :: 117.273 Ave N Shift Values>> N :: 121.98(4.07) S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.900 CA :: 58.126 CB :: 64.363 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.038 HA :: 4.450 HB2 :: 3.808 HB3 :: 3.808 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 :: 114.436 Ave N Shift Values>> N :: 116.3(3.95) K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.31 M 0.05 G 0.03 HN Overlap>> L71 C Shift Assignments>> C :: 172.800 CA :: 54.600 CB :: 33.130 CG :: 25.000 CD :: 29.500 CE :: 42.500 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 :: 8.236 HA :: 4.620 HB2 :: 1.820 HB3 :: 1.720 HG2 :: 1.440 HG3 :: 1.440 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.828 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.867 CA :: 63.817 CB :: 32.210 CG :: 27.618 CD :: 50.937 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 :: 4.402 HB2 :: 2.259 HB3 :: 1.938 HG2 :: 1.980 HG3 :: 1.980 HD2 :: 3.780 HD3 :: 3.650 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) N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 Y 0.13 N 0.11 K 0.1 R 0.01 I 0.01 C Shift Assignments>> C :: 177.500 CA :: 55.061 CB :: 40.577 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.943 HA :: 4.415 HB2 :: 2.710 HB3 :: 2.710 HD21 :: 6.791 HD22 :: 7.486 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.826 ND2 :: 112.723 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 7 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 117 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 123 #Suspicious: 1 C Shift Results: #Consistent: 573 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 777 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 3 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: Y39 HH = 5.310(M), Expected = 9.25, Std = 1.3400, ChiSquare = 3.2790e-03 K40 CB = 39.215(S), Expected = 32.83, Std = 1.8800, ChiSquare = 6.8309e-04 K40 HD3 = 0.690(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.3323e-04 K40 HE2 = 1.970(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.5867e-06 K40 HE3 = 1.100(M), Expected = 2.93, Std = 0.2000, ChiSquare = 5.6934e-20 K40 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 K40 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 K40 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 K49 HD2 = 0.500(S), Expected = 1.61, Std = 0.2500, ChiSquare = 8.9959e-06 K49 HD3 = 0.450(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.4841e-06 V56 HG1 = -0.105(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.6526e-04 P61 HG3 = 0.498(S), Expected = 1.92, Std = 0.3700, ChiSquare = 1.2142e-04 Y62 H = 5.626(M), Expected = 8.37, Std = 0.7500, ChiSquare = 2.5353e-04 P65 HD3 = 1.530(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.5210e-07 D80 HB3 = 1.219(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.2749e-07 R88 HD3 = 2.290(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.3444e-04 L92 HD1 = -0.546(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0932e-06 L92 HD2 = -0.182(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.6742e-04 W108 CD1 = 130.320(M), Expected = 126.16, Std = 1.7600, ChiSquare = 1.8097e-02