G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.18 M 0.04 G 0.01 C Shift Assignments>> C :: 176.445 CA :: 56.225 CB :: 33.012 CG :: 24.058 CD :: 29.065 CE :: 42.304 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 :: 8.411 HA :: 4.302 HB2 :: 1.846 HB3 :: 1.779 HG2 :: 1.446 HG3 :: 1.498 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 3.074 HE3 :: 3.074 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 :: 122.806 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.42 A 0.11 C Shift Assignments>> C :: 176.610 CA :: 56.031 CB :: 33.645 CG :: 31.965 CE :: 17.131 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 :: 8.391 HA :: 4.413 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.567 HG3 :: 2.567 HE :: 2.069 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 :: 122.119 Ave N Shift Values>> N :: 120.1(3.88) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 175.346 CA :: 45.254 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.545 HA2 :: 4.012 HA3 :: 4.101 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.963 Ave N Shift Values>> N :: 109.91(4.29) V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.882 CA :: 65.460 CB :: 32.300 CG1 :: 21.746 CG2 :: 22.118 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 :: 7.964 HA :: 3.864 HB :: 2.069 HG1 :: 0.975 HG2 :: 1.064 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.588 Ave N Shift Values>> N :: 121.02(4.96) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.17 G 0.02 M 0.01 HN Overlap>> I78 C Shift Assignments>> C :: 177.533 CA :: 60.818 CB :: 32.401 CG :: 25.152 CD :: 29.537 CE :: 42.297 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 :: 8.358 HA :: 3.605 HB2 :: 1.824 HB3 :: 1.758 HG2 :: 1.198 HG3 :: 1.148 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.737 HE3 :: 2.895 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 :: 119.275 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.26 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.161 CA :: 59.310 CB :: 29.211 CG :: 36.816 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 :: 8.192 HA :: 3.915 HB2 :: 2.001 HB3 :: 2.001 HG2 :: 2.287 HG3 :: 2.443 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 :: 116.650 Ave N Shift Values>> N :: 120.68(3.68) D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 D 0.16 F 0.16 C 0.13 R 0.06 N 0.02 I 0.01 C Shift Assignments>> C :: 179.048 CA :: 56.317 CB :: 41.281 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 :: 8.213 HA :: 4.503 HB2 :: 2.905 HB3 :: 2.805 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 :: 121.463 Ave N Shift Values>> N :: 120.73(4.2) I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.15 C Shift Assignments>> C :: 177.422 CA :: 64.840 CB :: 35.879 CG1 :: 29.517 CG2 :: 17.548 CD1 :: 11.702 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 :: 8.587 HA :: 3.386 HB :: 1.891 HG2 :: 0.658 HG12 :: 1.094 HG13 :: 1.504 HD1 :: 0.529 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 :: 119.306 Ave N Shift Values>> N :: 121.6(4.72) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.1 K 0.1 C Shift Assignments>> C :: 178.118 CA :: 60.449 CB :: 30.691 CG :: 28.301 CD :: 43.346 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 :: 8.557 HA :: 3.654 HB2 :: 1.891 HB3 :: 1.980 HG2 :: 1.399 HG3 :: 1.399 HD2 :: 3.211 HD3 :: 3.065 HE :: 6.516 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 :: 119.650 NE :: 113.835 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 177.366 CA :: 47.162 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.994 HA2 :: 4.146 HA3 :: 3.788 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.900 Ave N Shift Values>> N :: 109.91(4.29) Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.13 Q 0.13 I 0.07 M 0.06 C Shift Assignments>> C :: 179.427 CA :: 58.864 CB :: 29.795 CG :: 35.168 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 :: 8.158 HA :: 4.180 HB2 :: 2.148 HB3 :: 2.337 HG2 :: 2.672 HG3 :: 2.394 HE21 :: 7.238 HE22 :: 7.070 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.931 NE2 :: 112.494 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.821 CA :: 65.809 CB :: 37.740 CG1 :: 29.667 CG2 :: 17.608 CD1 :: 14.605 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 :: 8.292 HA :: 3.418 HB :: 1.882 HG2 :: 0.640 HG12 :: 2.025 HG13 :: 2.025 HD1 :: 0.685 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 :: 122.440 Ave N Shift Values>> N :: 121.6(4.72) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 179.497 CA :: 66.327 CB :: 38.377 CG1 :: 30.239 CG2 :: 17.417 CD1 :: 14.616 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 :: 7.860 HA :: 3.364 HB :: 1.801 HG2 :: 0.822 HG12 :: 1.742 HG13 :: 0.512 HD1 :: 0.819 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 :: 118.088 Ave N Shift Values>> N :: 121.6(4.72) G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.565 CA :: 47.072 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.234 HA2 :: 3.878 HA3 :: 3.878 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.306 Ave N Shift Values>> N :: 109.91(4.29) A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 178.025 CA :: 53.755 CB :: 18.355 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.933 HA :: 4.257 HB :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.744 Ave N Shift Values>> N :: 123.23(3.7) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.23 R 0.19 G 0.11 A 0.02 C Shift Assignments>> C :: 177.031 CA :: 53.635 CB :: 43.345 CG :: 27.535 CD1 :: 27.266 CD2 :: 23.594 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 :: 7.288 HA :: 4.493 HB2 :: 1.820 HB3 :: 1.945 HG :: 1.690 HD1 :: 0.819 HD2 :: 0.707 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 :: 115.369 Ave N Shift Values>> N :: 121.98(4.07) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 179.003 CA :: 54.857 CB :: 18.823 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.404 HA :: 4.257 HB :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.775 Ave N Shift Values>> N :: 123.23(3.7) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.258 CA :: 44.889 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.711 HA2 :: 4.190 HA3 :: 3.855 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.963 Ave N Shift Values>> N :: 109.91(4.29) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.15 C 0.03 L 0.02 C Shift Assignments>> C :: 176.173 CA :: 51.880 CB :: 20.222 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.653 HA :: 4.235 HB :: 1.197 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.337 Ave N Shift Values>> N :: 123.23(3.7) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.13 C 0.11 N 0.1 F 0.06 R 0.05 C Shift Assignments>> C :: 173.867 CA :: 53.679 CB :: 41.519 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 :: 8.317 HA :: 4.738 HB2 :: 2.446 HB3 :: 2.585 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 :: 120.463 Ave N Shift Values>> N :: 120.73(4.2) F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> CA :: 56.830 CB :: 40.666 CD1 :: 131.894 CD2 :: 131.894 CE1 :: 130.758 CE2 :: 130.758 CZ :: 127.833 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 :: 8.192 HA :: 4.168 HB2 :: 2.739 HB3 :: 2.899 HD1 :: 7.240 HD2 :: 7.240 HE1 :: 7.105 HE2 :: 7.105 HZ :: 6.906 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.119 Ave N Shift Values>> N :: 120.69(4.18) P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.89 P 0.1 C Shift Assignments>> C :: 174.973 CA :: 62.145 CB :: 35.826 CG :: 25.377 CD :: 50.835 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.128 HB2 :: 2.417 HB3 :: 2.063 HG2 :: 2.002 HG3 :: 2.002 HD2 :: 3.709 HD3 :: 3.637 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) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 177.070 CA :: 61.182 CB :: 40.030 CG1 :: 27.496 CG2 :: 18.236 CD1 :: 13.930 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.649 HA :: 4.436 HB :: 1.868 HG2 :: 1.177 HG12 :: 0.865 HG13 :: 1.260 HD1 :: 0.429 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 :: 119.931 Ave N Shift Values>> N :: 121.6(4.72) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 C 0.13 F 0.12 N 0.08 R 0.03 C Shift Assignments>> C :: 174.223 CA :: 55.160 CB :: 40.966 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.313 HA :: 4.888 HB2 :: 2.918 HB3 :: 2.784 HD21 :: 8.006 HD22 :: 6.532 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 :: 124.962 ND2 :: 113.806 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.719 CB :: 64.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.404 HA :: 3.932 HB2 :: 4.041 HB3 :: 3.654 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 :: 112.775 Ave N Shift Values>> N :: 116.3(3.95) P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 177.821 CA :: 65.216 CB :: 31.696 CG :: 27.500 CD :: 50.352 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 :: 4.123 HB2 :: 1.965 HB3 :: 2.380 HG2 :: 2.090 HG3 :: 1.824 HD2 :: 3.587 HD3 :: 3.587 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) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.31 E 0.18 K 0.02 C Shift Assignments>> C :: 180.003 CA :: 60.643 CB :: 28.675 CG :: 37.132 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 :: 8.659 HA :: 3.922 HB2 :: 2.017 HB3 :: 1.877 HG2 :: 2.408 HG3 :: 2.214 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 :: 117.556 Ave N Shift Values>> N :: 120.68(3.68) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.35 I 0.15 M 0.06 K 0.01 C Shift Assignments>> C :: 179.002 CA :: 58.754 CB :: 31.001 CG :: 37.308 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 :: 7.653 HA :: 4.023 HB2 :: 2.100 HB3 :: 2.203 HG2 :: 2.339 HG3 :: 2.339 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 :: 119.869 Ave N Shift Values>> N :: 120.68(3.68) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.39 R 0.15 K 0.01 C Shift Assignments>> C :: 177.063 CA :: 58.210 CB :: 41.659 CG :: 27.572 CD1 :: 24.090 CD2 :: 26.091 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 :: 7.891 HA :: 4.079 HB2 :: 2.449 HB3 :: 1.556 HG :: 1.569 HD1 :: 0.874 HD2 :: 0.863 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 :: 121.431 Ave N Shift Values>> N :: 121.98(4.07) M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.43 A 0.08 C Shift Assignments>> C :: 178.696 CA :: 56.933 CB :: 32.588 CG :: 33.248 CE :: 18.533 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 :: 8.151 HA :: 4.146 HB2 :: 2.235 HB3 :: 1.675 HG2 :: 2.920 HG3 :: 2.784 HE :: 2.028 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 :: 113.744 Ave N Shift Values>> N :: 120.1(3.88) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 C Shift Assignments>> C :: 178.106 CA :: 53.520 CB :: 18.823 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.528 HA :: 4.168 HB :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.650 Ave N Shift Values>> N :: 123.23(3.7) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.18 C 0.03 L 0.02 C Shift Assignments>> C :: 177.410 CA :: 52.348 CB :: 19.937 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.362 HA :: 4.212 HB :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.931 Ave N Shift Values>> N :: 123.23(3.7) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.33 R 0.15 A 0.05 G 0.02 K 0.01 C Shift Assignments>> CA :: 52.466 CB :: 41.897 CG :: 25.982 CD1 :: 27.964 CD2 :: 23.595 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 :: 7.072 HA :: 4.584 HB2 :: 1.724 HB3 :: 1.599 HG :: 2.069 HD1 :: 0.738 HD2 :: 0.693 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 :: 117.890 Ave N Shift Values>> N :: 121.98(4.07) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.328 CA :: 65.437 CB :: 32.195 CG :: 27.721 CD :: 50.633 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 :: 4.358 HB2 :: 2.476 HB3 :: 1.947 HG2 :: 2.270 HG3 :: 2.203 HD2 :: 3.605 HD3 :: 4.324 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) N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.27 C 0.14 L 0.05 F 0.03 C Shift Assignments>> C :: 175.898 CA :: 51.199 CB :: 39.756 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.528 HA :: 5.240 HB2 :: 2.248 HB3 :: 2.971 HD21 :: 7.494 HD22 :: 6.914 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 :: 112.978 ND2 :: 111.681 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.367 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.653 HA2 :: 4.391 HA3 :: 4.190 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.869 Ave N Shift Values>> N :: 109.91(4.29) P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.173 CA :: 64.437 CB :: 32.208 CG :: 27.111 CD :: 51.226 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 :: 4.352 HB2 :: 2.471 HB3 :: 1.951 HG2 :: 2.069 HG3 :: 1.962 HD2 :: 4.034 HD3 :: 3.632 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.15 C 0.11 F 0.09 N 0.08 R 0.04 C Shift Assignments>> C :: 176.231 CA :: 54.561 CB :: 41.326 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 :: 7.321 HA :: 4.669 HB2 :: 2.627 HB3 :: 2.895 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 :: 114.088 Ave N Shift Values>> N :: 120.73(4.2) T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 65.044 CB :: 69.115 CG2 :: 20.641 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 :: 7.715 HA :: 4.092 HB :: 4.012 HG2 :: 1.260 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.369 Ave N Shift Values>> N :: 115.7(5.05) T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.301 CB :: 71.296 CG2 :: 21.435 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.085 HA :: 5.079 HB :: 3.958 HG2 :: 1.064 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 :: 123.650 Ave N Shift Values>> N :: 115.7(5.05) C45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.17 H 0.15 C 0.15 Q 0.12 K 0.08 M 0.08 I 0.03 V 0.02 C Shift Assignments>> C :: 181.200(M) CA :: 57.558 CB :: 30.433 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.732 HA :: 4.694 HB2 :: 2.583 HB3 :: 2.717 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.556 Ave N Shift Values>> N :: 119.95(4.79) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.29 K 0.22 G 0.01 M 0.01 C Shift Assignments>> C :: 175.554 CA :: 55.153 CB :: 36.598 CG :: 25.017 CD :: 29.604 CE :: 42.298 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 :: 8.617 HA :: 5.266 HB2 :: 1.757 HB3 :: 1.608 HG2 :: 1.232 HG3 :: 1.232 HD2 :: 1.623 HD3 :: 1.658 HE2 :: 2.962 HE3 :: 2.902 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 :: 123.244 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.599 CA :: 57.595 CB :: 63.405 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.836 HA :: 4.436 HB2 :: 3.647 HB3 :: 3.431 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.994 Ave N Shift Values>> N :: 116.3(3.95) G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.22 L 0.03 A 0.02 P 0.02 C Shift Assignments>> C :: 174.784 CA :: 47.333 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.043 HA2 :: 3.945 HA3 :: 3.654 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.806 Ave N Shift Values>> N :: 109.91(4.29) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 K 0.12 C 0.12 N 0.11 F 0.09 R 0.03 C Shift Assignments>> C :: 175.710 CA :: 54.277 CB :: 41.064 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 :: 8.753 HA :: 4.686 HB2 :: 2.650 HB3 :: 2.806 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 :: 125.994 Ave N Shift Values>> N :: 120.73(4.2) V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.074 CA :: 62.956 CB :: 32.638 CG1 :: 20.938 CG2 :: 21.847 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.268 HA :: 4.041 HB :: 2.248 HG1 :: 0.774 HG2 :: 1.031 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.620 Ave N Shift Values>> N :: 121.02(4.96) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.19 E 0.15 C Shift Assignments>> C :: 174.372 CA :: 54.655 CB :: 33.276 CG :: 37.028 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 :: 8.400 HA :: 4.927 HB2 :: 1.860 HB3 :: 1.779 HG2 :: 2.069 HG3 :: 1.905 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 :: 126.619 Ave N Shift Values>> N :: 120.68(3.68) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.27 C 0.19 R 0.02 C Shift Assignments>> CA :: 54.039 CB :: 45.277 CG :: 27.595 CD1 :: 24.453 CD2 :: 25.552 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 :: 8.836 HA :: 4.715 HB2 :: 1.556 HB3 :: 1.198 HG :: 1.377 HD1 :: 0.797 HD2 :: 0.636 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 :: 125.806 Ave N Shift Values>> N :: 121.98(4.07) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.35 C Shift Assignments>> C :: 178.289 CA :: 55.045 CB :: 34.151 CG :: 24.833 CD :: 26.541 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 :: 8.397 HA :: 4.707 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 1.803 HD3 :: 1.803 HE2 :: 3.195 HE3 :: 3.038 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.518 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.27 C 0.05 V 0.03 I 0.03 L 0.02 T 0.01 C Shift Assignments>> C :: 178.752 CA :: 55.858 CB :: 19.419 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.095 HA :: 3.864 HB :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.775 Ave N Shift Values>> N :: 123.23(3.7) S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.551 CB :: 61.384 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.421 HA :: 4.123 HB2 :: 3.989 HB3 :: 3.900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.181 Ave N Shift Values>> N :: 116.3(3.95) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 C 0.18 L 0.16 D 0.16 K 0.14 I 0.04 N 0.03 R 0.02 C Shift Assignments>> C :: 174.540 CA :: 56.817 CB :: 40.618 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 :: 7.134 HA :: 4.614 HB2 :: 2.969 HB3 :: 2.775 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.431 Ave N Shift Values>> N :: 120.73(4.2) A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 179.061 CA :: 54.457 CB :: 18.296 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.069 HA :: 4.056 HB :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.025 Ave N Shift Values>> N :: 123.23(3.7) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.193 CA :: 46.442 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.545 HA2 :: 3.878 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 :: 101.318 Ave N Shift Values>> N :: 109.91(4.29) Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.17 M 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 177.246 CA :: 57.248 CB :: 29.349 CG :: 34.285 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 :: 7.332 HA :: 4.332 HB2 :: 2.236 HB3 :: 2.321 HG2 :: 2.560 HG3 :: 2.653 HE21 :: 7.455 HE22 :: 6.861 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 :: 115.775 NE2 :: 111.963 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.696 CA :: 61.206 CB :: 31.954 CG1 :: 21.539 CG2 :: 19.540 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 :: 7.321 HA :: 4.498 HB :: 2.359 HG1 :: 0.975 HG2 :: 0.998 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 :: 109.963 Ave N Shift Values>> N :: 121.02(4.96) L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.21 G 0.06 R 0.06 A 0.03 C Shift Assignments>> C :: 176.835 CA :: 54.099 CB :: 42.971 CG :: 26.253 CD1 :: 26.192 CD2 :: 23.378 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 :: 7.175 HA :: 4.715 HB2 :: 2.091 HB3 :: 1.600 HG :: 2.037 HD1 :: 0.886 HD2 :: 0.817 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 :: 120.494 Ave N Shift Values>> N :: 121.98(4.07) T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 175.990 CA :: 59.507 CB :: 71.837 CG2 :: 22.121 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.459 HA :: 4.838 HB :: 4.547 HG2 :: 1.197 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.431 Ave N Shift Values>> N :: 115.7(5.05) A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.33 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 179.676 CA :: 55.478 CB :: 18.763 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.753 HA :: 4.212 HB :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.088 Ave N Shift Values>> N :: 123.23(3.7) D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 C 0.14 F 0.14 N 0.11 K 0.1 R 0.01 I 0.01 C Shift Assignments>> C :: 176.365 CA :: 55.079 CB :: 40.632 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 :: 7.985 HA :: 4.525 HB2 :: 2.484 HB3 :: 2.717 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.650 Ave N Shift Values>> N :: 120.73(4.2) D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 R 0.14 D 0.14 C 0.11 F 0.1 N 0.01 C Shift Assignments>> C :: 173.512 CA :: 55.984 CB :: 42.033 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 :: 7.943 HA :: 4.235 HB2 :: 2.560 HB3 :: 2.318 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 :: 118.275 Ave N Shift Values>> N :: 120.73(4.2) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.48 C Shift Assignments>> CA :: 55.470 CB :: 40.060 CD1 :: 133.063 CD2 :: 133.063 CE1 :: 130.758 CE2 :: 130.758 CZ :: 127.803 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.947 HA :: 3.587 HB2 :: 2.784 HB3 :: 2.784 HD1 :: 7.370 HD2 :: 7.370 HE1 :: 7.121 HE2 :: 7.121 HZ :: 7.010 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 :: 114.088 Ave N Shift Values>> N :: 120.69(4.18) P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 P 0.02 C Shift Assignments>> C :: 175.947 CA :: 61.685 CB :: 36.092 CG :: 24.777 CD :: 50.388 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 :: 4.994 HB2 :: 1.820 HB3 :: 2.774 HG2 :: 2.025 HG3 :: 1.847 HD2 :: 3.584 HD3 :: 3.584 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) F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.29 G 0.14 C Shift Assignments>> C :: 177.237 CA :: 56.851 CB :: 43.467 CD1 :: 131.359 CD2 :: 131.359 CE1 :: 131.059 CE2 :: 131.059 CZ :: 128.304 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 :: 8.808 HA :: 5.173 HB2 :: 2.851 HB3 :: 3.169 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 6.669 HE2 :: 6.669 HZ :: 6.719 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 :: 116.619 Ave N Shift Values>> N :: 120.69(4.18) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.12 M 0.02 C Shift Assignments>> C :: 175.425 CA :: 57.334 CB :: 33.026 CG :: 25.169 CD :: 28.872 CE :: 41.477 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 :: 9.687 HA :: 4.413 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 1.489 HG3 :: 1.557 HD2 :: 1.779 HD3 :: 1.779 HE2 :: 3.007 HE3 :: 3.053 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 :: 121.119 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.05 C Shift Assignments>> C :: 173.377 CA :: 56.033 CB :: 66.164 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.300 HA :: 3.303 HB2 :: 3.900 HB3 :: 3.699 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 :: 110.775 Ave N Shift Values>> N :: 116.3(3.95) A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.42 C 0.05 L 0.04 V 0.02 T 0.01 C Shift Assignments>> C :: 178.546 CA :: 54.766 CB :: 19.995 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.566 HA :: 3.766 HB :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.119 Ave N Shift Values>> N :: 123.23(3.7) E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.31 E 0.17 K 0.01 C Shift Assignments>> C :: 177.345 CA :: 60.673 CB :: 28.744 CG :: 37.361 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 :: 8.836 HA :: 3.598 HB2 :: 1.958 HB3 :: 1.833 HG2 :: 2.403 HG3 :: 2.152 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 :: 117.338 Ave N Shift Values>> N :: 120.68(3.68) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.11 M 0.09 K 0.03 Q 0.02 C Shift Assignments>> C :: 179.845 CA :: 59.220 CB :: 31.027 CG :: 36.206 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 :: 7.362 HA :: 4.168 HB2 :: 2.203 HB3 :: 2.449 HG2 :: 2.493 HG3 :: 2.382 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 :: 117.838 Ave N Shift Values>> N :: 120.68(3.68) V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.401 CA :: 65.192 CB :: 31.070 CG1 :: 22.076 CG2 :: 21.627 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 :: 7.238 HA :: 2.484 HB :: 1.851 HG1 :: 0.388 HG2 :: 0.575 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 :: 118.619 Ave N Shift Values>> N :: 121.02(4.96) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.21 L 0.13 C 0.09 V 0.06 T 0.04 C Shift Assignments>> C :: 178.553 CA :: 55.678 CB :: 20.783 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.998 HA :: 3.709 HB :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.056 Ave N Shift Values>> N :: 123.23(3.7) D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 K 0.19 C 0.17 L 0.15 D 0.1 I 0.05 R 0.04 N 0.01 C Shift Assignments>> C :: 178.391 CA :: 57.474 CB :: 40.949 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 :: 8.659 HA :: 4.324 HB2 :: 2.717 HB3 :: 2.538 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 :: 115.900 Ave N Shift Values>> N :: 120.73(4.2) T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.045 CA :: 67.228 CB :: 68.108 CG2 :: 21.875 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 :: 7.765 HA :: 4.041 HB :: 4.257 HG2 :: 1.243 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 :: 115.556 Ave N Shift Values>> N :: 115.7(5.05) I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 HN Overlap>> K9 C Shift Assignments>> C :: 177.639 CA :: 66.686 CB :: 37.586 CG1 :: 30.027 CG2 :: 17.579 CD1 :: 13.543 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 :: 8.296 HA :: 3.439 HB :: 1.737 HG2 :: 0.636 HG12 :: 1.862 HG13 :: 0.803 HD1 :: 0.596 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 :: 119.306 Ave N Shift Values>> N :: 121.6(4.72) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.712 CA :: 66.322 CB :: 31.194 CG1 :: 21.804 CG2 :: 20.000 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.400 HA :: 3.766 HB :: 2.173 HG1 :: 0.953 HG2 :: 1.064 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 :: 111.400 Ave N Shift Values>> N :: 121.02(4.96) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 F 0.2 N 0.19 D 0.14 E 0.06 L 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 178.731 CA :: 55.741 CB :: 38.596 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 :: 7.757 HA :: 4.619 HB2 :: 3.029 HB3 :: 2.828 HD21 :: 7.606 HD22 :: 6.905 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 :: 117.931 ND2 :: 112.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 K 0.21 G 0.01 C Shift Assignments>> C :: 177.873 CA :: 59.319 CB :: 32.011 CG :: 26.999 CD :: 29.840 CE :: 42.281 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 :: 8.483 HA :: 4.207 HB2 :: 1.868 HB3 :: 1.801 HG2 :: 1.422 HG3 :: 1.422 HD2 :: 1.645 HD3 :: 1.687 HE2 :: 2.739 HE3 :: 2.895 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 :: 119.869 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 177.567 CA :: 52.500 CB :: 18.822 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.369 HA :: 4.330 HB :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.056 Ave N Shift Values>> N :: 123.23(3.7) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 174.536 CA :: 46.808 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.684 HA2 :: 3.922 HA3 :: 3.922 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.869 Ave N Shift Values>> N :: 109.91(4.29) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.32 K 0.14 G 0.05 A 0.01 R 0.01 C Shift Assignments>> CA :: 56.320 CB :: 42.948 CD1 :: 26.797 CD2 :: 22.996 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.217 HA :: 4.056 HB2 :: 1.623 HB3 :: 1.444 HG :: 1.544 HD1 :: 0.819 HD2 :: 0.797 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 :: 123.587 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 84 #Suspicious: 0 C Shift Results: #Consistent: 323 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 442 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 81 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: C45 C = 181.200(M), Expected = 174.78, Std = 1.9900, ChiSquare = 1.2548e-03