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 S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.027 CA :: 58.697 CB :: 63.779 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.469 HB2 :: 3.641 HB3 :: 3.799 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) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.797 CA :: 45.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.400 HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.545 Ave N Shift Values>> N :: 109.91(4.29) M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 A 0.36 C 0.25 HN Overlap>> W111 C Shift Assignments>> C :: 174.305 CA :: 53.211 CB :: 32.564 CE :: 17.128 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 :: 8.107 HA :: 4.816 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 2.534 HG3 :: 2.606 HE :: 2.101 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 :: 120.825 Ave N Shift Values>> N :: 120.1(3.88) P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.338 CA :: 63.241 CB :: 32.142 CG :: 27.356 CD :: 50.580 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 :: 4.422 HB2 :: 2.189 HB3 :: 1.759 HG2 :: 1.933 HG3 :: 1.874 HD2 :: 3.409 HD3 :: 3.548 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) Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.412 CA :: 58.113 CB :: 38.840 CD1 :: 133.104 CD2 :: 133.104 CE1 :: 118.275 CE2 :: 118.275 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 :: 8.235 HA :: 4.500 HB2 :: 3.003 HB3 :: 2.964 HD1 :: 7.082 HD2 :: 7.082 HE1 :: 6.813 HE2 :: 6.813 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 :: 120.628 Ave N Shift Values>> N :: 120.79(4.69) V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.101 CA :: 61.706 CB :: 33.351 CG1 :: 20.447 CG2 :: 21.072 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 :: 7.765 HA :: 4.071 HB :: 1.907 HG1 :: 0.840 HG2 :: 0.827 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 :: 122.712 Ave N Shift Values>> N :: 121.02(4.96) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.07 F 0.07 Y 0.05 R 0.05 C Shift Assignments>> C :: 176.494 CA :: 54.167 CB :: 41.537 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 :: 8.287 HA :: 4.507 HB2 :: 2.753 HB3 :: 2.691 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 :: 124.170 Ave N Shift Values>> N :: 120.73(4.2) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.08 HN Overlap>> V58 C Shift Assignments>> C :: 176.305 CA :: 56.523 CB :: 30.701 CG :: 27.217 CD :: 43.461 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 :: 8.211 HA :: 4.267 HB2 :: 1.748 HB3 :: 1.856 HG2 :: 1.622 HG3 :: 1.622 HD2 :: 3.172 HD3 :: 3.172 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 :: 121.438 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.13 M 0.07 R 0.03 C Shift Assignments>> C :: 175.534 CA :: 55.800 CB :: 29.355 CG :: 34.089 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 :: 8.370 HA :: 4.290 HB2 :: 2.110 HB3 :: 1.970 HG2 :: 2.310 HG3 :: 2.310 HE21 :: 6.828 HE22 :: 7.580 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.086 NE2 :: 112.360 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 174.486 CA :: 53.416 CB :: 39.053 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 :: 8.340 HA :: 4.697 HB2 :: 2.707 HB3 :: 2.812 HD21 :: 7.568 HD22 :: 6.837 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.602 ND2 :: 112.647 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.12 G 0.07 C Shift Assignments>> C :: 175.494 CA :: 56.140 CB :: 31.226 CG :: 27.217 CD :: 43.430 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 :: 8.150 HA :: 4.560 HB2 :: 1.805 HB3 :: 1.805 HG2 :: 1.636 HG3 :: 1.636 HD2 :: 3.211 HD3 :: 3.130 HE :: 7.450 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 :: 121.286 NE :: 84.670 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 172.757 CA :: 60.660 CB :: 37.824 CG1 :: 27.564 CG2 :: 15.424 CD1 :: 12.386 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 :: 8.100 HA :: 4.110 HB :: 1.470 HG2 :: -0.179(S) HG12 :: 0.450 HG13 :: 1.044 HD1 :: 0.122 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.161 Ave N Shift Values>> N :: 121.6(4.72) C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.18 K 0.15 R 0.14 W 0.11 E 0.08 Q 0.07 V 0.01 HN Overlap>> Q96 C Shift Assignments>> C :: 173.822 CA :: 54.859 CB :: 31.827 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.714 HA :: 5.754 HB2 :: 3.218 HB3 :: 2.919 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 :: 119.258 Ave N Shift Values>> N :: 119.95(4.79) G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.928 CA :: 45.038 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.470 HA2 :: 3.668 HA3 :: 4.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.148 Ave N Shift Values>> N :: 109.91(4.29) F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 177.018 CA :: 59.424 CB :: 40.797 CD1 :: 132.688 CD2 :: 132.688 CE1 :: 131.854 CE2 :: 131.854 CZ :: 130.658 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 :: 8.870 HA :: 5.470 HB2 :: 3.064 HB3 :: 3.002 HD1 :: 7.434 HD2 :: 7.434 HE1 :: 7.595 HE2 :: 7.595 HZ :: 7.711 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.970 Ave N Shift Values>> N :: 120.69(4.18) L21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.46 G 0.25 L 0.21 A 0.06 C Shift Assignments>> C :: 174.830 CA :: 54.373 CB :: 47.212 CG :: 26.223 CD1 :: 23.356 CD2 :: 24.627 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 :: 9.311 HA :: 4.543 HB2 :: 1.066 HB3 :: 0.555 HG :: 0.770 HD1 :: -1.336(M) HD2 :: 0.579 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 :: 121.886 Ave N Shift Values>> N :: 121.98(4.07) D22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.26 D 0.24 R 0.12 C 0.12 K 0.07 N 0.05 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.936 CA :: 52.327 CB :: 42.693 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 :: 7.826 HA :: 5.922(S) HB2 :: 2.485 HB3 :: 2.395 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 :: 118.711 Ave N Shift Values>> N :: 120.73(4.2) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.14 G 0.01 C Shift Assignments>> C :: 174.010 CA :: 58.169 CB :: 41.873 CG1 :: 28.813 CG2 :: 14.027 CD1 :: 13.266 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 :: 9.688 HA :: 5.170 HB :: 1.375 HG2 :: 0.888 HG12 :: 1.116 HG13 :: 1.479 HD1 :: 0.288 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 :: 122.103 Ave N Shift Values>> N :: 121.6(4.72) E24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.07 M 0.07 I 0.06 Q 0.02 C Shift Assignments>> C :: 176.420 CA :: 56.758 CB :: 29.997 CG :: 36.588 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 :: 8.608 HA :: 3.604 HB2 :: 1.950 HB3 :: 1.072(S) HG2 :: 1.235(S) HG3 :: 1.981 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 :: 130.868 Ave N Shift Values>> N :: 120.68(3.68) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.15 C 0.1 F 0.07 N 0.06 R 0.06 Y 0.05 C Shift Assignments>> C :: 176.657 CA :: 54.338 CB :: 41.616 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 :: 8.620 HA :: 4.390 HB2 :: 2.957 HB3 :: 2.518 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 :: 126.959 Ave N Shift Values>> N :: 120.73(4.2) N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.18 D 0.18 Y 0.15 F 0.13 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 175.674 CA :: 54.889 CB :: 38.971 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 :: 8.378 HA :: 4.519 HB2 :: 2.855 HB3 :: 2.855 HD21 :: 7.665 HD22 :: 6.896 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 :: 122.030 ND2 :: 113.194 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 I 0.07 K 0.05 Q 0.02 C Shift Assignments>> C :: 176.371 CA :: 57.142 CB :: 30.395 CG :: 36.588 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 :: 8.510 HA :: 4.200 HB2 :: 2.070 HB3 :: 1.970 HG2 :: 2.270 HG3 :: 2.190 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 :: 118.906 Ave N Shift Values>> N :: 120.68(3.68) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.24 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 173.330 CA :: 53.121 CB :: 39.299 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 :: 7.919 HA :: 4.650 HB2 :: 2.649 HB3 :: 2.649 HD21 :: 7.847 HD22 :: 6.919 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.798 ND2 :: 115.116 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>> C :: 176.329 CA :: 59.948 CB :: 63.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.191 HA :: 4.140 HB2 :: 3.817 HB3 :: 3.780 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.724 Ave N Shift Values>> N :: 116.3(3.95) G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.264 CA :: 45.421 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.582 HA2 :: 3.579 HA3 :: 4.110 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.600 Ave N Shift Values>> N :: 109.91(4.29) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.34 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 174.395 CA :: 54.918 CB :: 33.033 CG :: 24.903 CD :: 29.022 CE :: 42.350 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 :: 7.940 HA :: 4.580 HB2 :: 1.890 HB3 :: 1.770 HG2 :: 1.283 HG3 :: 1.380 HD2 :: 1.660 HD3 :: 1.660 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 :: 121.604 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 175.608 CA :: 57.510 CB :: 41.623 CD1 :: 131.405 CD2 :: 131.405 CE1 :: 131.067 CE2 :: 131.067 CZ :: 129.183 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 :: 8.790 HA :: 4.785 HB2 :: 2.610 HB3 :: 2.930 HD1 :: 6.920 HD2 :: 6.920 HE1 :: 6.978 HE2 :: 6.978 HZ :: 6.877 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.759 Ave N Shift Values>> N :: 120.69(4.18) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.17 G 0.16 A 0.05 R 0.05 C Shift Assignments>> C :: 175.551 CA :: 53.136 CB :: 43.675 CG :: 26.939 CD1 :: 25.419 CD2 :: 23.038 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 :: 9.228 HA :: 4.690 HB2 :: 1.880 HB3 :: 1.241 HG :: 1.660 HD1 :: 0.941 HD2 :: 0.890 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.224 Ave N Shift Values>> N :: 121.98(4.07) R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.11 K 0.07 C Shift Assignments>> C :: 177.829 CA :: 57.128 CB :: 30.301 CG :: 27.595 CD :: 43.738 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 :: 8.823 HA :: 5.140 HB2 :: 1.970 HB3 :: 1.782 HG2 :: 1.600 HG3 :: 1.660 HD2 :: 3.152 HD3 :: 3.061 HE :: 7.280 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 :: 125.745 NE :: 84.773 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.31 R 0.11 K 0.09 C Shift Assignments>> C :: 172.051 CA :: 53.394 CB :: 34.250 CG :: 28.328 CD :: 43.947 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 :: 9.625 HA :: 5.132 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.470 HG3 :: 1.567 HD2 :: 3.720 HD3 :: 2.790 HE :: 7.850 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 :: 131.171 NE :: 85.218 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> Y98 C Shift Assignments>> C :: 174.428 CA :: 58.169 CB :: 40.267 CD1 :: 132.609 CD2 :: 132.609 CE1 :: 117.271 CE2 :: 117.271 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 :: 8.760 HA :: 4.371 HB2 :: 2.582 HB3 :: 1.982 HD1 :: 5.740 HD2 :: 5.740 HE1 :: 6.510 HE2 :: 6.510 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.113 Ave N Shift Values>> N :: 120.79(4.69) F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.3 G 0.12 C Shift Assignments>> C :: 175.288 CA :: 57.271 CB :: 43.368 CD1 :: 131.256 CD2 :: 131.256 CE1 :: 131.139 CE2 :: 131.139 CZ :: 128.230 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 :: 8.970 HA :: 5.431 HB2 :: 2.911 HB3 :: 2.559 HD1 :: 6.866 HD2 :: 6.866 HE1 :: 6.203 HE2 :: 6.203 HZ :: 5.870 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 :: 128.914 Ave N Shift Values>> N :: 120.69(4.18) I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.36 G 0.21 C Shift Assignments>> C :: 174.715 CA :: 61.788 CB :: 43.416 CG1 :: 28.122 CG2 :: 16.975 CD1 :: 14.358 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 :: 9.490 HA :: 4.630 HB :: 1.970 HG2 :: 0.974 HG12 :: 1.262 HG13 :: 1.861 HD1 :: 0.997 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 :: 117.677 Ave N Shift Values>> N :: 121.6(4.72) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.3 C 0.29 G 0.03 K 0.02 C Shift Assignments>> C :: 173.658 CA :: 54.835 CB :: 42.597 CG :: 28.466 CD1 :: 26.041 CD2 :: 25.837 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 :: 8.740 HA :: 4.854 HB2 :: 2.266 HB3 :: 1.467 HG :: 1.590 HD1 :: 0.904 HD2 :: 0.790 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 :: 129.729 Ave N Shift Values>> N :: 121.98(4.07) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.11 R 0.1 K 0.09 N 0.06 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.748 CA :: 52.651 CB :: 42.383 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 :: 8.760 HA :: 5.026 HB2 :: 3.353 HB3 :: 2.389 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 :: 128.394 Ave N Shift Values>> N :: 120.73(4.2) T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.690 CA :: 64.596 CB :: 68.215 CG2 :: 22.496 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 :: 8.367 HA :: 4.041 HB :: 4.417 HG2 :: 1.247 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.499 Ave N Shift Values>> N :: 115.7(5.05) Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.21 K 0.21 E 0.16 I 0.04 R 0.04 M 0.01 C Shift Assignments>> C :: 177.239 CA :: 58.614 CB :: 28.391 CG :: 34.436 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 :: 8.549 HA :: 4.240 HB2 :: 2.217 HB3 :: 2.217 HG2 :: 2.443 HG3 :: 2.394 HE21 :: 7.584 HE22 :: 6.837 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 :: 123.150 NE2 :: 112.359 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 C Shift Assignments>> C :: 177.043 CA :: 51.652 CB :: 19.105 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.961 HA :: 4.320 HB :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.605 Ave N Shift Values>> N :: 123.23(3.7) N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.21 D 0.1 Y 0.1 F 0.07 E 0.04 M 0.01 L 0.01 HN Overlap>> Q54 C Shift Assignments>> C :: 175.043 CA :: 53.819 CB :: 37.982 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 :: 7.980 HA :: 4.398 HB2 :: 3.357 HB3 :: 2.556 HD21 :: 7.577 HD22 :: 6.674 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.724 ND2 :: 110.195 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.16 M 0.15 R 0.13 W 0.13 E 0.1 Q 0.05 V 0.05 I 0.01 C Shift Assignments>> C :: 171.428 CA :: 57.672 CB :: 32.036 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.371 HA :: 5.280 HB2 :: 2.727 HB3 :: 2.549 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 :: 113.948 Ave N Shift Values>> N :: 119.95(4.79) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.32 C 0.19 R 0.02 C Shift Assignments>> C :: 174.084 CA :: 54.050 CB :: 45.131 CG :: 27.495 CD1 :: 25.500 CD2 :: 24.431 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 :: 8.980 HA :: 5.209 HB2 :: 1.297 HB3 :: 2.272 HG :: 1.900 HD1 :: 0.770 HD2 :: 1.298 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 :: 125.448 Ave N Shift Values>> N :: 121.98(4.07) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.3 L 0.17 C Shift Assignments>> C :: 176.223 CA :: 54.255 CB :: 47.000 CG :: 27.608 CD1 :: 26.627 CD2 :: 24.699 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 :: 9.220 HA :: 4.920 HB2 :: 1.928 HB3 :: 1.401 HG :: 1.628 HD1 :: 1.059 HD2 :: 0.834 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 :: 127.766 Ave N Shift Values>> N :: 121.98(4.07) W48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.55 C 0.44 HN Overlap>> F87 C Shift Assignments>> C :: 174.887 CA :: 55.654 CB :: 30.639 CD1 :: 125.047 CE3 :: 122.120 CZ2 :: 113.885 CZ3 :: 120.647 CH2 :: 123.758 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 :: 7.953 HA :: 5.840 HB2 :: 1.800(S) HB3 :: 1.658(S) HD1 :: 6.176 HE1 :: 10.053 HE3 :: 6.801 HZ2 :: 7.218 HZ3 :: 6.461 HH2 :: 6.491 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 :: 115.454 NE1 :: 127.052 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.2 Y 0.14 C Shift Assignments>> C :: 176.666 CA :: 57.524 CB :: 45.081 CD1 :: 132.825 CD2 :: 132.825 CE1 :: 118.736 CE2 :: 118.736 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 :: 9.299 HA :: 4.713 HB2 :: 3.431 HB3 :: 3.148 HD1 :: 7.102 HD2 :: 7.102 HE1 :: 6.711 HE2 :: 6.711 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.414 Ave N Shift Values>> N :: 120.79(4.69) M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.45 A 0.05 C Shift Assignments>> C :: 175.461 CA :: 56.435 CB :: 31.383 CG :: 32.215 CE :: 16.418 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 :: 9.390 HA :: 4.617 HB2 :: 2.300 HB3 :: 2.022 HG2 :: 2.690 HG3 :: 2.900 HE :: 2.200 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 :: 117.999 Ave N Shift Values>> N :: 120.1(3.88) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.2 D 0.15 C 0.14 R 0.09 N 0.03 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.298 CA :: 51.016 CB :: 43.264 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 :: 7.771 HA :: 4.682 HB2 :: 2.742 HB3 :: 2.267 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 :: 113.226 Ave N Shift Values>> N :: 120.73(4.2) N52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.13 Y 0.03 F 0.03 L 0.01 C Shift Assignments>> C :: 175.928 CA :: 51.077 CB :: 38.536 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 :: 9.380 HA :: 2.640(M) HB2 :: 1.913 HB3 :: 2.491 HD21 :: 7.530 HD22 :: 6.830 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.875 ND2 :: 112.580 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 178.042 CA :: 64.568 CB :: 31.898 CG :: 26.176 CD :: 51.791 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.800 HB2 :: 1.773 HB3 :: 1.648 HG2 :: 1.380 HG3 :: 0.672(S) HD2 :: 3.161 HD3 :: 3.110 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) Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.23 E 0.14 R 0.05 M 0.03 I 0.02 HN Overlap>> N44 C Shift Assignments>> C :: 176.576 CA :: 57.819 CB :: 28.750 CG :: 34.089 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 :: 7.899 HA :: 3.988 HB2 :: 1.810 HB3 :: 1.694 HG2 :: 2.279 HG3 :: 2.213 HE21 :: 7.463 HE22 :: 6.824 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.705 NE2 :: 112.069 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.25 C 0.13 Y 0.05 L 0.05 F 0.05 C Shift Assignments>> C :: 174.871 CA :: 52.430 CB :: 39.470 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 :: 8.300 HA :: 4.770 HB2 :: 2.549 HB3 :: 2.960 HD21 :: 7.600 HD22 :: 6.837 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 :: 115.650 ND2 :: 111.788 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.31 C 0.16 A 0.05 R 0.02 C Shift Assignments>> C :: 175.887 CA :: 53.181 CB :: 44.222 CG :: 26.119 CD1 :: 26.058 CD2 :: 23.114 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 :: 7.095 HA :: 4.510 HB2 :: 1.690 HB3 :: 1.559 HG :: 1.480 HD1 :: 0.890 HD2 :: 0.860 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 :: 120.103 Ave N Shift Values>> N :: 121.98(4.07) A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 178.502 CA :: 52.267 CB :: 19.088 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.224 HA :: 4.216 HB :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.693 Ave N Shift Values>> N :: 123.23(3.7) V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> R13 C Shift Assignments>> C :: 177.625 CA :: 64.165 CB :: 31.755 CG1 :: 21.589 CG2 :: 20.801 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 :: 8.294 HA :: 3.820 HB :: 1.980 HG1 :: 1.038 HG2 :: 0.933 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 :: 121.485 Ave N Shift Values>> N :: 121.02(4.96) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.461 CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.839 HA2 :: 4.110 HA3 :: 3.746 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.715 Ave N Shift Values>> N :: 109.91(4.29) A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.24 C 0.04 L 0.04 C Shift Assignments>> C :: 177.977 CA :: 53.122 CB :: 20.217 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.668 HA :: 4.259 HB :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.383 Ave N Shift Values>> N :: 123.23(3.7) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.199 CA :: 44.346 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.455 HA2 :: 3.749 HA3 :: 4.334 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.681 Ave N Shift Values>> N :: 109.91(4.29) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.27 C 0.01 C Shift Assignments>> C :: 178.698 CA :: 52.784 CB :: 18.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.247 HA :: 3.351 HB :: 0.838 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.706 Ave N Shift Values>> N :: 123.23(3.7) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.387 CA :: 61.441 CB :: 32.108 CG1 :: 22.118 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 :: 8.710 HA :: 4.150 HB :: 2.180 HG1 :: 0.980 HG2 :: 0.752 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.765 Ave N Shift Values>> N :: 121.02(4.96) G64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 169.584 CA :: 43.608 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.843 HA2 :: 3.463 HA3 :: 1.820(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.261 Ave N Shift Values>> N :: 109.91(4.29) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.895 CA :: 57.023 CB :: 65.528 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.950 HA :: 4.800 HB2 :: 3.490 HB3 :: 3.375 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 :: 110.607 Ave N Shift Values>> N :: 116.3(3.95) L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.27 C 0.26 A 0.02 C Shift Assignments>> C :: 175.288 CA :: 53.696 CB :: 46.275 CG :: 26.800 CD1 :: 26.162 CD2 :: 23.955 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 :: 9.087 HA :: 4.800 HB2 :: 1.830 HB3 :: 1.570 HD1 :: 0.729 HD2 :: 0.990 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.940 Ave N Shift Values>> N :: 121.98(4.07) Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.23 E 0.16 M 0.04 R 0.03 I 0.01 C Shift Assignments>> C :: 177.780 CA :: 56.450 CB :: 28.918 CG :: 34.367 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 :: 8.719 HA :: 4.620 HB2 :: 1.936 HB3 :: 1.720 HG2 :: 2.414 HG3 :: 2.298 HE21 :: 7.275 HE22 :: 6.804 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 :: 127.115 NE2 :: 111.550 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.47 R 0.02 C Shift Assignments>> C :: 178.657 CA :: 57.775 CB :: 40.338 CG :: 27.425 CD1 :: 26.174 CD2 :: 23.049 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 :: 8.175 HA :: 3.909 HB2 :: 1.340 HB3 :: 1.814 HG :: 1.389 HD1 :: 0.834 HD2 :: 0.764 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.192 Ave N Shift Values>> N :: 121.98(4.07) T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.355 CA :: 63.193 CB :: 69.083 CG2 :: 22.369 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 :: 7.617 HA :: 4.190 HB :: 4.091 HG2 :: 1.171 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 :: 107.314 Ave N Shift Values>> N :: 115.7(5.05) Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 176.239 CA :: 56.272 CB :: 37.921 CD1 :: 131.943 CD2 :: 131.943 CE1 :: 118.420 CE2 :: 118.420 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 :: 7.572 HA :: 4.842 HB2 :: 3.510 HB3 :: 3.191 HD1 :: 7.188 HD2 :: 7.188 HE1 :: 6.880 HE2 :: 6.880 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.052 Ave N Shift Values>> N :: 120.79(4.69) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 175.584 CA :: 63.237 CB :: 38.258 CG1 :: 28.189 CG2 :: 17.460 CD1 :: 14.313 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 :: 7.540 HA :: 4.125 HB :: 2.110 HG2 :: 0.839 HG12 :: 1.929 HG13 :: 0.840 HD1 :: 0.892 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 :: 119.527 Ave N Shift Values>> N :: 121.6(4.72) S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.846 CA :: 58.805 CB :: 64.112 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.141 HA :: 4.662 HB2 :: 3.885 HB3 :: 3.860 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.157 Ave N Shift Values>> N :: 116.3(3.95) K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.34 R 0.18 M 0.01 C Shift Assignments>> C :: 173.969 CA :: 57.023 CB :: 35.760 CG :: 24.718 CD :: 29.230 CE :: 42.072 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 :: 7.662 HA :: 4.510 HB2 :: 1.940 HB3 :: 1.763 HG2 :: 1.365 HG3 :: 1.437 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.974 HE3 :: 2.974 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.653 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.297 CA :: 61.472 CB :: 33.070 CG1 :: 22.484 CG2 :: 22.484 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 :: 8.769 HA :: 5.160 HB :: 2.083 HG1 :: 1.024 HG2 :: 0.989 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 :: 126.556 Ave N Shift Values>> N :: 121.02(4.96) S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 172.904 CA :: 56.641 CB :: 66.132 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.835 HA :: 4.950 HB2 :: 3.802 HB3 :: 3.741 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 :: 120.102 Ave N Shift Values>> N :: 116.3(3.95) I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 176.559 CA :: 63.119 CB :: 38.442 CG1 :: 29.230 CG2 :: 17.734 CD1 :: 13.100 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 :: 8.808 HA :: 4.186 HB :: 1.889 HG2 :: 1.186 HG12 :: 1.745 HG13 :: 1.142 HD1 :: 0.966 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.432 Ave N Shift Values>> N :: 121.6(4.72) A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 L 0.01 C Shift Assignments>> C :: 177.043 CA :: 52.282 CB :: 19.649 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.525 HA :: 4.550 HB :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.018 Ave N Shift Values>> N :: 123.23(3.7) T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 174.125 CA :: 59.765 CB :: 68.790 CG2 :: 22.100 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 :: 8.538 HA :: 4.754 HB :: 4.590 HG2 :: 1.330 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 :: 114.371 Ave N Shift Values>> N :: 115.7(5.05) P79 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 :: 177.977 CA :: 64.698 CB :: 31.920 CG :: 27.842 CD :: 50.888 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 :: 4.227 HB2 :: 2.336 HB3 :: 1.881 HG2 :: 1.970 HG3 :: 2.110 HD2 :: 3.901 HD3 :: 3.830 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) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.21 M 0.02 C Shift Assignments>> C :: 177.772 CA :: 57.690 CB :: 32.548 CG :: 25.204 CD :: 28.952 CE :: 42.142 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 :: 7.679 HA :: 4.070 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 1.450 HG3 :: 1.400 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 :: 115.656 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.22 Q 0.2 K 0.18 M 0.07 I 0.02 R 0.01 HN Overlap>> K109 C Shift Assignments>> C :: 175.911 CA :: 57.215 CB :: 29.580 CG :: 34.783 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 :: 7.778 HA :: 4.150 HB2 :: 2.050 HB3 :: 2.269 HG2 :: 2.408 HG3 :: 2.408 HE21 :: 7.644 HE22 :: 6.718 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.500 NE2 :: 111.077 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.31 R 0.14 M 0.03 C Shift Assignments>> C :: 173.027 CA :: 53.387 CB :: 32.258 CG :: 24.423 CD :: 28.893 CE :: 41.595 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 :: 7.795 HA :: 4.440 HB2 :: 1.752 HB3 :: 1.580 HG2 :: 1.330 HG3 :: 1.102 HD2 :: 1.511 HD3 :: 1.528 HE2 :: 2.334 HE3 :: 2.460 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.967 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.092 CA :: 63.801 CB :: 32.409 CG :: 27.147 CD :: 50.541 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 :: 4.458 HB2 :: 2.231 HB3 :: 2.005 HG2 :: 1.929 HG3 :: 1.875 HD2 :: 3.411 HD3 :: 3.550 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) K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.22 M 0.02 C Shift Assignments>> C :: 176.067 CA :: 56.685 CB :: 32.353 CG :: 25.204 CD :: 29.022 CE :: 42.142 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 :: 8.766 HA :: 4.142 HB2 :: 1.900 HB3 :: 1.760 HG2 :: 1.400 HG3 :: 1.351 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.956 HE3 :: 2.956 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 :: 118.692 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.17 A 0.01 C Shift Assignments>> C :: 171.863 CA :: 58.824 CB :: 69.994 CG2 :: 21.180 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 :: 7.249 HA :: 4.527 HB :: 3.910 HG2 :: 0.869 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.107 Ave N Shift Values>> N :: 115.7(5.05) P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.944 CA :: 62.747 CB :: 31.808 CG :: 26.662 CD :: 50.580 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 :: 4.170 HB2 :: 0.978 HB3 :: 1.748 HG2 :: 1.468 HG3 :: 1.638 HD2 :: 3.299 HD3 :: 3.470 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) F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.49 HN Overlap>> W48 C Shift Assignments>> C :: 174.101 CA :: 56.125 CB :: 37.344 CD1 :: 131.405 CD2 :: 131.405 CE1 :: 131.567 CE2 :: 131.567 CZ :: 129.586 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 :: 8.007 HA :: 4.580 HB2 :: 2.953 HB3 :: 3.180 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 7.370 HE2 :: 7.370 HZ :: 7.340 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 :: 115.484 Ave N Shift Values>> N :: 120.69(4.18) C88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 W 0.16 Q 0.15 R 0.14 K 0.13 C 0.13 M 0.05 I 0.03 V 0.01 C Shift Assignments>> C :: 174.469 CA :: 57.248 CB :: 29.641 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.142 HA :: 5.647 HB2 :: 2.839 HB3 :: 2.650 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 :: 118.916 Ave N Shift Values>> N :: 119.95(4.79) F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 170.904 CA :: 55.301 CB :: 41.706 CD1 :: 132.451 CD2 :: 132.451 CE1 :: 129.923 CE2 :: 129.923 CZ :: 129.611 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.470 HA :: 5.330 HB2 :: 2.877 HB3 :: 2.786 HD1 :: 6.820 HD2 :: 6.820 HE1 :: 6.610 HE2 :: 6.610 HZ :: 6.277 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.459 Ave N Shift Values>> N :: 120.69(4.18) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.32 C Shift Assignments>> C :: 175.788 CA :: 59.055 CB :: 35.427 CG1 :: 20.393 CG2 :: 21.486 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 :: 9.292 HA :: 4.980 HB :: 1.750 HG1 :: 0.595 HG2 :: 0.498 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 :: 118.591 Ave N Shift Values>> N :: 121.02(4.96) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> C :: 175.018 CA :: 60.690 CB :: 40.926 CG1 :: 26.854 CG2 :: 18.304 CD1 :: 14.164 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 :: 8.968 HA :: 4.524 HB :: 1.777 HG2 :: 0.870 HG12 :: 0.953 HG13 :: 1.649 HD1 :: 0.535 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 :: 124.990 Ave N Shift Values>> N :: 121.6(4.72) N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.29 C 0.13 L 0.08 F 0.07 Y 0.07 K 0.01 C Shift Assignments>> C :: 173.486 CA :: 53.195 CB :: 39.851 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 :: 8.927 HA :: 5.119 HB2 :: 2.855 HB3 :: 2.787 HD21 :: 7.212 HD22 :: 6.794 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 :: 126.612 ND2 :: 111.142 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.21 C 0.12 M 0.12 K 0.01 C Shift Assignments>> C :: 176.494 CA :: 51.068 CB :: 22.011 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.489 HA :: 5.339 HB :: 1.551 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.442 Ave N Shift Values>> N :: 123.23(3.7) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.01 C Shift Assignments>> C :: 177.838 CA :: 57.516 CB :: 40.472 CG :: 27.147 CD1 :: 24.977 CD2 :: 23.154 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 :: 8.517 HA :: 4.041 HB2 :: 1.902 HB3 :: 1.606 HG :: 1.630 HD1 :: 0.779 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 :: 121.504 Ave N Shift Values>> N :: 121.98(4.07) S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.674 CA :: 58.819 CB :: 63.520 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.401 HA :: 4.432 HB2 :: 3.950 HB3 :: 4.029 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 :: 112.517 Ave N Shift Values>> N :: 116.3(3.95) Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.33 Q 0.15 E 0.06 K 0.03 HN Overlap>> C18 C Shift Assignments>> C :: 173.412 CA :: 54.915 CB :: 32.230 CG :: 33.519 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 :: 7.685 HA :: 4.478 HB2 :: 1.990 HB3 :: 1.831 HG2 :: 1.928 HG3 :: 2.096 HE21 :: 7.196 HE22 :: 6.843 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 :: 119.210 NE2 :: 112.013 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.32 G 0.16 K 0.08 C Shift Assignments>> C :: 174.863 CA :: 54.725 CB :: 32.899 CG :: 27.147 CD :: 43.835 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 :: 8.163 HA :: 5.115 HB2 :: 1.377 HB3 :: 1.584 HG2 :: 1.312 HG3 :: 1.448 HD2 :: 3.010 HD3 :: 3.064 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 :: 121.162 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 HN Overlap>> Y36 C Shift Assignments>> C :: 173.855 CA :: 56.302 CB :: 40.979 CD1 :: 132.976 CD2 :: 132.976 CE1 :: 118.001 CE2 :: 118.001 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 :: 8.733 HA :: 4.858 HB2 :: 2.553 HB3 :: 2.476 HD1 :: 6.997 HD2 :: 6.997 HE1 :: 6.837 HE2 :: 6.837 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.075 Ave N Shift Values>> N :: 120.79(4.69) F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 173.683 CA :: 57.480 CB :: 41.226 CD1 :: 132.240 CD2 :: 132.240 CE1 :: 131.013 CE2 :: 131.013 CZ :: 129.217 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 :: 8.983 HA :: 4.892 HB2 :: 2.927 HB3 :: 2.773 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 7.130 HE2 :: 7.130 HZ :: 7.124 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.922 Ave N Shift Values>> N :: 120.69(4.18) L100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.29 C 0.27 G 0.23 L 0.18 K 0.01 C Shift Assignments>> C :: 174.666 CA :: 53.887 CB :: 44.022 CG :: 28.575 CD1 :: 25.443 CD2 :: 27.022 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 :: 8.630 HA :: 5.207 HB2 :: -0.437(S) HB3 :: 0.400 HG :: 0.840 HD1 :: 0.002 HD2 :: -0.237(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 :: 124.520 Ave N Shift Values>> N :: 121.98(4.07) Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.31 Q 0.15 E 0.09 K 0.03 C Shift Assignments>> C :: 175.445 CA :: 54.550 CB :: 32.071 CG :: 34.089 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.189 HA :: 4.846 HB2 :: 1.809 HB3 :: 1.426 HG2 :: 2.175 HG3 :: 2.175 HE21 :: 6.254 HE22 :: 7.111 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 :: 119.400 NE2 :: 109.257 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.08 C 0.04 L 0.01 C Shift Assignments>> C :: 175.912 CA :: 50.206 CB :: 20.266 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.899 HA :: 4.800 HB :: 1.608 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.669 Ave N Shift Values>> N :: 123.23(3.7) N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.16 D 0.16 F 0.15 K 0.15 Y 0.13 C 0.13 N 0.03 R 0.03 I 0.01 C Shift Assignments>> C :: 174.625 CA :: 56.273 CB :: 40.947 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 :: 9.975 HA :: 4.471 HB2 :: 2.776 HB3 :: 2.652 HD21 :: 6.915 HD22 :: 8.223 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 :: 115.728 ND2 :: 116.412 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.13 C 0.12 K 0.04 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.560 CA :: 52.050 CB :: 40.899 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 :: 7.498 HA :: 3.096(S) HB2 :: 2.655 HB3 :: 2.837 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 :: 112.000 Ave N Shift Values>> N :: 120.73(4.2) Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 Q 0.23 E 0.09 R 0.07 M 0.03 I 0.02 C Shift Assignments>> C :: 177.043 CA :: 59.158 CB :: 28.638 CG :: 33.603 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 :: 8.182 HA :: 3.755 HB2 :: 2.161 HB3 :: 2.000 HG2 :: 2.475 HG3 :: 2.475 HE21 :: 7.520 HE22 :: 6.908 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.589 NE2 :: 111.097 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 177.387 CA :: 59.276 CB :: 32.139 CG :: 24.926 CD :: 28.883 CE :: 42.489 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 :: 7.946 HA :: 3.975 HB2 :: 1.900 HB3 :: 1.780 HG2 :: 1.418 HG3 :: 1.418 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 :: 122.099 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 K 0.19 L 0.19 C 0.11 F 0.11 Y 0.08 D 0.06 I 0.01 C Shift Assignments>> C :: 177.674 CA :: 57.156 CB :: 42.409 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 :: 8.521 HA :: 4.420 HB2 :: 2.940 HB3 :: 2.688 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 :: 120.297 Ave N Shift Values>> N :: 120.73(4.2) L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.36 R 0.17 G 0.05 C Shift Assignments>> C :: 176.469 CA :: 58.629 CB :: 42.847 CG :: 26.800 CD1 :: 26.780 CD2 :: 25.447 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.678 HA :: 3.718 HB2 :: 2.160 HB3 :: 1.501 HG :: 1.430 HD1 :: 1.112 HD2 :: 0.934 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 :: 117.138 Ave N Shift Values>> N :: 121.98(4.07) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.02 G 0.01 HN Overlap>> Q81 C Shift Assignments>> C :: 178.804 CA :: 59.687 CB :: 32.383 CG :: 24.996 CD :: 29.508 CE :: 42.072 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 :: 7.721 HA :: 3.717 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.420 HG3 :: 1.569 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 :: 117.567 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.09 L 0.07 I 0.06 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 179.919 CA :: 57.215 CB :: 39.754 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 :: 8.603 HA :: 4.220 HB2 :: 2.255 HB3 :: 2.740 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 :: 119.028 Ave N Shift Values>> N :: 120.73(4.2) W111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.34 HN Overlap>> M8 C Shift Assignments>> C :: 178.452 CA :: 61.956 CB :: 29.666 CD1 :: 128.082 CE3 :: 118.565 CZ2 :: 113.670 CZ3 :: 120.670 CH2 :: 124.104 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.141 HA :: 3.962 HB2 :: 2.800 HB3 :: 2.552 HD1 :: 7.333 HE1 :: 10.161 HE3 :: 7.209 HZ2 :: 6.832 HZ3 :: 6.665 HH2 :: 6.663 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.780 NE1 :: 128.632 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.428 CA :: 67.477 CB :: 31.549 CG1 :: 21.080 CG2 :: 23.672 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 :: 8.054 HA :: 3.109 HB :: 1.885 HG1 :: 0.719 HG2 :: 0.429 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 :: 118.696 Ave N Shift Values>> N :: 121.02(4.96) E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.22 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.321 CA :: 59.455 CB :: 29.336 CG :: 36.434 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 :: 8.313 HA :: 4.108 HB2 :: 1.960 HB3 :: 2.092 HG2 :: 2.247 HG3 :: 2.401 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 :: 118.100 Ave N Shift Values>> N :: 120.68(3.68) A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.38 C 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 181.346 CA :: 55.201 CB :: 18.897 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.936 HA :: 4.037 HB :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 123.23(3.7) L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.3 L 0.28 G 0.05 K 0.03 C Shift Assignments>> C :: 179.346 CA :: 57.907 CB :: 43.092 CG :: 27.842 CD1 :: 27.118 CD2 :: 24.576 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 :: 8.553 HA :: 4.048 HB2 :: 2.072 HB3 :: 1.340 HG :: 2.120 HD1 :: 0.994 HD2 :: 1.007 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 :: 117.640 Ave N Shift Values>> N :: 121.98(4.07) N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.23 F 0.19 D 0.07 N 0.07 E 0.06 I 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 178.108 CA :: 56.641 CB :: 38.531 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 :: 8.384 HA :: 4.480 HB2 :: 2.732 HB3 :: 2.938 HD21 :: 7.402 HD22 :: 7.142 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 :: 119.022 ND2 :: 113.359 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.1 R 0.07 I 0.02 M 0.02 C Shift Assignments>> C :: 178.248 CA :: 58.614 CB :: 28.439 CG :: 33.803 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 :: 8.215 HA :: 4.089 HB2 :: 2.143 HB3 :: 2.143 HG2 :: 2.436 HG3 :: 2.512 HE21 :: 7.552 HE22 :: 6.824 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.791 NE2 :: 111.912 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.31 C 0.04 L 0.02 C Shift Assignments>> C :: 178.256 CA :: 53.791 CB :: 19.870 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.990 HA :: 4.279 HB :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.946 Ave N Shift Values>> N :: 123.23(3.7) S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.493 CA :: 59.320 CB :: 64.510 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.760 HA :: 4.355 HB2 :: 3.880 HB3 :: 4.155 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 :: 111.425 Ave N Shift Values>> N :: 116.3(3.95) K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.22 M 0.03 G 0.01 C Shift Assignments>> C :: 176.723 CA :: 56.582 CB :: 32.537 CG :: 24.648 CD :: 29.091 CE :: 42.350 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 :: 7.629 HA :: 4.411 HB2 :: 1.971 HB3 :: 1.891 HG2 :: 1.539 HG3 :: 1.500 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.988 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 :: 121.177 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.781 CA :: 58.672 CB :: 64.078 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.099 HA :: 4.524 HB2 :: 3.929 HB3 :: 3.929 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.639 Ave N Shift Values>> N :: 116.3(3.95) G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.15 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.830 CA :: 44.811 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.201 HA2 :: 4.202 HA3 :: 4.091 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.445 Ave N Shift Values>> N :: 109.91(4.29) P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.272 CB :: 32.316 CG :: 27.262 CD :: 49.910 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 :: 4.501 HB2 :: 2.309 HB3 :: 2.309 HG2 :: 2.021 HG3 :: 2.021 HD2 :: 3.651 HD3 :: 3.651 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) S124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.529 HA :: 4.501 HB2 :: 3.931 HB3 :: 3.931 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.400 Ave N Shift Values>> N :: 116.3(3.95) S125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 537 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 708 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 2 N Shift Results: #Consistent: 135 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: I17 HG2 = -0.179(S), Expected = 0.80, Std = 0.2900, ChiSquare = 7.3585e-04 L21 HD1 = -1.336(M), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1907e-15 D22 HA = 5.922(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.3136e-05 E24 HB3 = 1.072(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.5685e-05 E24 HG2 = 1.235(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.0708e-07 W48 HB2 = 1.800(S), Expected = 3.22, Std = 0.3600, ChiSquare = 7.9985e-05 W48 HB3 = 1.658(S), Expected = 3.18, Std = 0.3600, ChiSquare = 2.3601e-05 N52 HA = 2.640(M), Expected = 4.70, Std = 0.3900, ChiSquare = 1.2775e-07 P53 HG3 = 0.672(S), Expected = 1.92, Std = 0.3700, ChiSquare = 7.4361e-04 G64 HA3 = 1.820(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.3276e-07 L100 HB2 = -0.437(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.2062e-09 L100 HD2 = -0.237(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.6985e-04 D104 HA = 3.096(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.0402e-06