G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.37 L 0.27 G 0.09 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 43.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.925 HA3 :: 3.925 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 K 0.07 C 0.07 R 0.07 D 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.02 A 0.02 S 0.02 HN Overlap>> S89 C Shift Assignments>> CA :: 55.714 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.111 HA :: 5.483 HB2 :: 4.313 HB3 :: 4.313 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 :: 122.858 Ave N Shift Values>> N :: 116.3(3.95) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.833 CA :: 44.580 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.096 HA2 :: 3.828 HA3 :: 4.133 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.188 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.884 CA :: 58.286 CB :: 64.103 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.608 HA :: 4.549 HB2 :: 3.915 HB3 :: 3.915 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.130 Ave N Shift Values>> N :: 116.3(3.95) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.961 CA :: 58.682 CB :: 64.059 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.510 HA :: 4.556 HB2 :: 3.928 HB3 :: 3.928 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.020 Ave N Shift Values>> N :: 116.3(3.95) G7 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 :: 174.423 CA :: 45.471 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.480 HA2 :: 4.040 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.024 Ave N Shift Values>> N :: 109.91(4.29) S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.704 CA :: 58.608 CB :: 63.938 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.293 HA :: 4.490 HB2 :: 3.899 HB3 :: 3.899 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 :: 115.751 Ave N Shift Values>> N :: 116.3(3.95) D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.264 CA :: 54.642 CB :: 41.017 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 :: 8.432 HA :: 4.647 HB2 :: 2.669 HB3 :: 2.721 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 :: 122.291 Ave N Shift Values>> N :: 120.73(4.2) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.115 CA :: 58.533 CB :: 64.070 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.139 HA :: 4.426 HB2 :: 3.851 HB3 :: 3.851 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 :: 115.294 Ave N Shift Values>> N :: 116.3(3.95) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.02 C Shift Assignments>> C :: 176.737 CA :: 55.237 CB :: 42.481 CG :: 27.055 CD1 :: 24.984 CD2 :: 24.093 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 :: 8.092 HA :: 4.364 HB2 :: 1.573 HB3 :: 1.643 HG :: 1.599 HD1 :: 0.929 HD2 :: 0.883 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 :: 123.804 Ave N Shift Values>> N :: 121.98(4.07) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 174.704 CA :: 62.200 CB :: 33.298 CG1 :: 21.138 CG2 :: 20.828 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 :: 7.953 HA :: 4.055 HB :: 1.936 HG1 :: 0.828 HG2 :: 0.911 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 :: 122.858 Ave N Shift Values>> N :: 121.02(4.96) V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.073 CA :: 61.940 CB :: 32.852 CG1 :: 20.828 CG2 :: 21.124 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 :: 8.212 HA :: 3.914 HB :: 1.928 HG1 :: 0.901 HG2 :: 0.832 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.695 Ave N Shift Values>> N :: 121.02(4.96) C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 W 0.14 C 0.14 K 0.11 E 0.11 Q 0.09 R 0.09 H 0.08 V 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 174.269 CA :: 59.520 CB :: 28.733 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.197 HA :: 4.356 HB2 :: 2.709 HB3 :: 2.394 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 :: 124.474 Ave N Shift Values>> N :: 119.95(4.79) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 M 0.24 Q 0.04 K 0.02 C Shift Assignments>> C :: 175.100 CA :: 54.824 CB :: 31.490 CG :: 36.067 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 :: 7.671 HA :: 4.434 HB2 :: 1.957 HB3 :: 2.124 HG2 :: 2.464 HG3 :: 2.350 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.667 Ave N Shift Values>> N :: 120.68(3.68) V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.139 CA :: 62.740 CB :: 32.110 CG1 :: 22.048 CG2 :: 22.048 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 :: 9.004 HA :: 3.955 HB :: 1.870 HG1 :: 0.805 HG2 :: 0.805 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 :: 121.535 Ave N Shift Values>> N :: 121.02(4.96) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.26 R 0.16 C 0.12 D 0.09 F 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 175.753 CA :: 53.246 CB :: 43.986 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 :: 8.507 HA :: 4.835 HB2 :: 2.885 HB3 :: 2.983 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 :: 129.932 Ave N Shift Values>> N :: 120.73(4.2) P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 179.662 CA :: 65.958 CB :: 32.249 CG :: 27.783 CD :: 51.360 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 :: 4.183 HB2 :: 2.461 HB3 :: 2.091 HG2 :: 2.119 HG3 :: 2.210 HD2 :: 3.960 HD3 :: 4.056 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) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.24 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.807 CA :: 59.277 CB :: 29.301 CG :: 36.712 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 :: 8.516 HA :: 4.191 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.412 HG3 :: 2.276 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 :: 118.469 Ave N Shift Values>> N :: 120.68(3.68) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.32 R 0.08 A 0.02 C Shift Assignments>> C :: 178.132 CA :: 57.230 CB :: 40.774 CG :: 27.508 CD1 :: 22.164 CD2 :: 26.327 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 :: 7.725 HA :: 4.196 HB2 :: 2.280 HB3 :: 1.765 HG :: 1.361 HD1 :: 0.942 HD2 :: 0.800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.480 Ave N Shift Values>> N :: 121.98(4.07) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.31 R 0.24 G 0.01 C Shift Assignments>> C :: 178.925 CA :: 61.059 CB :: 32.191 CG :: 25.967 CD :: 29.918 CE :: 42.057 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 :: 8.417 HA :: 3.677 HB2 :: 1.990 HB3 :: 1.889 HG2 :: 1.446 HG3 :: 1.228 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 2.996 HE3 :: 2.996 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 :: 119.598 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.27 K 0.15 Q 0.12 I 0.09 M 0.02 R 0.01 C Shift Assignments>> C :: 178.439 CA :: 58.626 CB :: 28.994 CG :: 35.376 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 :: 7.455 HA :: 4.379 HB2 :: 2.187 HB3 :: 2.122 HG2 :: 2.450 HG3 :: 2.360 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 :: 118.160 Ave N Shift Values>> N :: 120.68(3.68) T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.236 CA :: 67.730 CB :: 68.927 CG2 :: 21.570 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 :: 8.243 HA :: 3.924 HB :: 4.366 HG2 :: 1.216 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 :: 119.644 Ave N Shift Values>> N :: 115.7(5.05) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.4 R 0.13 G 0.01 C Shift Assignments>> C :: 178.388 CA :: 58.160 CB :: 42.043 CG :: 27.063 CD1 :: 22.686 CD2 :: 25.726 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 :: 8.857 HA :: 3.949 HB2 :: 1.985 HB3 :: 1.357 HG :: 1.706 HD1 :: 0.788 HD2 :: 0.723 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 :: 121.535 Ave N Shift Values>> N :: 121.98(4.07) R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 K 0.07 G 0.06 C Shift Assignments>> C :: 178.528 CA :: 59.966 CB :: 29.914 CG :: 27.251 CD :: 43.096 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.907 HA :: 4.026 HB2 :: 2.104 HB3 :: 2.014 HG2 :: 1.836 HG3 :: 1.708 HD2 :: 3.376 HD3 :: 3.192 HE :: 7.922 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 :: 121.156 NE :: 107.729 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.23 M 0.01 HN Overlap>> G151 C Shift Assignments>> C :: 179.718 CA :: 59.520 CB :: 32.555 CG :: 25.875 CD :: 29.604 CE :: 41.984 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 :: 8.117 HA :: 4.049 HB2 :: 1.969 HB3 :: 1.969 HG2 :: 1.749 HG3 :: 1.495 HD2 :: 1.760 HD3 :: 1.760 HE2 :: 3.014 HE3 :: 3.014 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 :: 116.885 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 177.658 CA :: 61.344 CB :: 40.337 CD1 :: 131.575 CD2 :: 131.575 CE1 :: 131.129 CE2 :: 131.129 CZ :: 129.199 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 :: 8.241 HA :: 4.305 HB2 :: 3.383 HB3 :: 3.053 HD1 :: 7.161 HD2 :: 7.161 HE1 :: 7.114 HE2 :: 7.114 HZ :: 7.070 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.156 Ave N Shift Values>> N :: 120.69(4.18) R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.06 L 0.01 C Shift Assignments>> C :: 176.955 CA :: 58.310 CB :: 30.176 CG :: 27.211 CD :: 43.541 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.872 HA :: 3.922 HB2 :: 1.644 HB3 :: 1.808 HG2 :: 1.270 HG3 :: 1.337 HD2 :: 3.137 HD3 :: 3.137 HE :: 7.186 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 :: 115.935 NE :: 109.053 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 175.497 CA :: 56.820 CB :: 38.978 CD1 :: 132.168 CD2 :: 132.168 CE1 :: 131.129 CE2 :: 131.129 CZ :: 129.496 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.324 HA :: 4.803 HB2 :: 2.752 HB3 :: 3.500 HD1 :: 7.428 HD2 :: 7.428 HE1 :: 7.344 HE2 :: 7.344 HZ :: 7.320 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 :: 115.724 Ave N Shift Values>> N :: 120.69(4.18) R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.14 G 0.04 L 0.02 C Shift Assignments>> C :: 175.906 CA :: 56.755 CB :: 30.180 CG :: 26.617 CD :: 43.076 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.205 HA :: 4.275 HB2 :: 2.038 HB3 :: 1.794 HG2 :: 1.518 HG3 :: 1.379 HD2 :: 2.522 HD3 :: 2.712 HE :: 7.043 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 :: 121.612 NE :: 108.297 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 R 0.21 M 0.03 G 0.01 C Shift Assignments>> C :: 177.365 CA :: 55.863 CB :: 32.761 CG :: 24.687 CD :: 28.844 CE :: 42.205 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 :: 8.625 HA :: 4.229 HB2 :: 1.703 HB3 :: 1.798 HG2 :: 1.464 HG3 :: 1.428 HD2 :: 1.668 HD3 :: 1.668 HE2 :: 3.021 HE3 :: 3.021 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 :: 121.156 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.12 M 0.05 K 0.04 Q 0.01 C Shift Assignments>> C :: 175.996 CA :: 57.621 CB :: 30.133 CG :: 37.009 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 :: 7.936 HA :: 4.072 HB2 :: 1.952 HB3 :: 1.831 HG2 :: 2.180 HG3 :: 2.369 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.778 Ave N Shift Values>> N :: 120.68(3.68) T33 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>> C :: 174.486 CA :: 60.506 CB :: 68.927 CG2 :: 21.047 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 :: 8.126 HA :: 4.043 HB :: 4.291 HG2 :: 0.812 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.437 Ave N Shift Values>> N :: 115.7(5.05) N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.18 C 0.15 Y 0.05 F 0.04 L 0.03 C Shift Assignments>> C :: 174.077 CA :: 52.128 CB :: 38.891 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 :: 7.829 HA :: 4.676 HB2 :: 2.927 HB3 :: 3.016 HD21 :: 7.293 HD22 :: 7.435 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 :: 118.887 ND2 :: 111.701 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.19 C 0.15 Y 0.08 F 0.06 L 0.04 E 0.01 C Shift Assignments>> C :: 175.855 CA :: 53.226 CB :: 38.891 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 :: 8.693 HA :: 5.218 HB2 :: 3.180 HB3 :: 2.923 HD21 :: 7.283 HD22 :: 7.016 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.535 ND2 :: 109.810 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.15 C 0.15 M 0.11 K 0.07 C Shift Assignments>> C :: 174.615 CA :: 52.333 CB :: 22.952 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.611 HA :: 5.178 HB :: 1.621 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.503 Ave N Shift Values>> N :: 123.23(3.7) A37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.78 C 0.08 L 0.07 R 0.02 K 0.01 C Shift Assignments>> C :: 175.548 CA :: 50.266 CB :: 25.711(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.410 HA :: 5.981(S) HB :: 1.339 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.234 Ave N Shift Values>> N :: 123.23(3.7) I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 174.653 CA :: 60.450 CB :: 40.204 CG1 :: 27.251 CG2 :: 17.561 CD1 :: 13.405 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 :: 9.012 HA :: 4.515 HB :: 1.372 HG2 :: 0.678 HG12 :: 0.470 HG13 :: 0.783 HD1 :: 0.220 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 :: 120.478 Ave N Shift Values>> N :: 121.6(4.72) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.932 CA :: 61.102 CB :: 38.939 CG1 :: 28.147 CG2 :: 18.134 CD1 :: 13.674 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 :: 9.076 HA :: 4.815 HB :: 1.797 HG2 :: 1.067 HG12 :: 1.513 HG13 :: 0.936 HD1 :: 0.751 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 :: 126.641 Ave N Shift Values>> N :: 121.6(4.72) M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.37 M 0.09 I 0.03 C Shift Assignments>> C :: 173.323 CA :: 54.996 CB :: 38.663 CG :: 32.258 CE :: 17.710 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 :: 9.713 HA :: 5.160 HB2 :: 2.184 HB3 :: 2.044 HG2 :: 2.475 HG3 :: 2.158 HE :: 1.857 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 :: 127.019 Ave N Shift Values>> N :: 120.1(3.88) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.17 K 0.16 G 0.05 M 0.02 A 0.02 C Shift Assignments>> C :: 173.591 CA :: 52.966 CB :: 36.861 CG :: 24.093 CD :: 29.735 CE :: 42.353 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 :: 8.874 HA :: 5.438 HB2 :: 1.456 HB3 :: 2.026 HG2 :: 1.166 HG3 :: 0.903 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.842 HE3 :: 2.842 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 :: 117.263 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.599 CA :: 61.977 CB :: 33.743 CG1 :: 20.338 CG2 :: 21.819 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 :: 7.736 HA :: 4.176 HB :: 1.316 HG1 :: 0.003 HG2 :: 0.579 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.831 Ave N Shift Values>> N :: 121.02(4.96) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 C 0.11 R 0.11 K 0.09 N 0.06 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.405 CA :: 52.780 CB :: 42.394 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.177 HA :: 4.777 HB2 :: 2.927 HB3 :: 2.430 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 :: 129.099 Ave N Shift Values>> N :: 120.73(4.2) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.15 M 0.03 G 0.01 C Shift Assignments>> C :: 177.556 CA :: 59.203 CB :: 32.704 CG :: 24.597 CD :: 29.604 CE :: 42.205 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 :: 8.821 HA :: 3.819 HB2 :: 1.823 HB3 :: 1.911 HG2 :: 1.435 HG3 :: 1.435 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 3.020 HE3 :: 3.020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.822 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 C 0.15 K 0.14 L 0.12 D 0.1 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 177.966 CA :: 57.285 CB :: 40.773 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 :: 8.215 HA :: 4.495 HB2 :: 2.715 HB3 :: 2.789 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 :: 119.287 Ave N Shift Values>> N :: 120.73(4.2) R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 G 0.15 K 0.09 C Shift Assignments>> C :: 175.382 CA :: 56.149 CB :: 31.961 CG :: 27.805 CD :: 43.987 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.786 HA :: 4.259 HB2 :: 1.987 HB3 :: 1.303 HG2 :: 1.607 HG3 :: 1.750 HD2 :: 3.241 HD3 :: 3.091 HE :: 7.161 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 :: 116.428 NE :: 108.675 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.28 Q 0.14 R 0.05 E 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 174.602 CA :: 56.902 CB :: 25.930 CG :: 34.634 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 :: 8.045 HA :: 3.676 HB2 :: 2.192 HB3 :: 2.270 HG2 :: 2.264 HG3 :: 2.264 HE21 :: 7.547 HE22 :: 6.709 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 :: 117.074 NE2 :: 111.512 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 C 0.4 M 0.04 I 0.01 HN Overlap>> T136 C Shift Assignments>> C :: 174.703 CA :: 53.487 CB :: 39.236 CG :: 32.407 CE :: 17.264 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.448 HA :: 5.451 HB2 :: 1.790 HB3 :: 1.523 HG2 :: 2.373 HG3 :: 2.459 HE :: 2.074 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 :: 115.105 Ave N Shift Values>> N :: 120.1(3.88) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 174.679 CA :: 62.536 CB :: 32.110 CG1 :: 22.906 CG2 :: 21.502 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 :: 9.077 HA :: 4.499 HB :: 1.872 HG1 :: 0.961 HG2 :: 0.831 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 :: 124.371 Ave N Shift Values>> N :: 121.02(4.96) V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.19 I 0.03 A 0.01 C Shift Assignments>> C :: 175.216 CA :: 59.129 CB :: 35.970 CG1 :: 21.718 CG2 :: 19.194 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 :: 9.140 HA :: 4.841 HB :: 2.361 HG1 :: 0.917 HG2 :: 0.736 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 :: 118.130 Ave N Shift Values>> N :: 121.02(4.96) L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.3 R 0.18 G 0.08 HN Overlap>> E128 C Shift Assignments>> C :: 175.676 CA :: 56.615 CB :: 43.392 CG :: 27.360 CD1 :: 25.875 CD2 :: 25.875 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 :: 9.024 HA :: 4.002 HB2 :: 1.879 HB3 :: 1.444 HG :: 1.358 HD1 :: 0.889 HD2 :: 0.889 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 :: 123.237 Ave N Shift Values>> N :: 121.98(4.07) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.29 M 0.14 I 0.04 C Shift Assignments>> C :: 175.011 CA :: 57.546 CB :: 32.410 CG :: 37.068 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.526 HA :: 4.647 HB2 :: 1.478 HB3 :: 2.008 HG2 :: 2.110 HG3 :: 2.252 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 :: 128.153 Ave N Shift Values>> N :: 120.68(3.68) D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.15 C 0.1 R 0.04 D 0.01 C Shift Assignments>> C :: 173.476 CA :: 53.636 CB :: 45.197 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 :: 8.072 HA :: 4.910 HB2 :: 2.381 HB3 :: 2.497 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 :: 115.105 Ave N Shift Values>> N :: 120.73(4.2) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.25 M 0.23 Q 0.01 C Shift Assignments>> C :: 174.473 CA :: 55.330 CB :: 32.455 CG :: 36.613 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 :: 8.729 HA :: 5.077 HB2 :: 1.901 HB3 :: 2.056 HG2 :: 2.243 HG3 :: 2.048 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.801 Ave N Shift Values>> N :: 120.68(3.68) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.19 C 0.19 R 0.02 A 0.01 C Shift Assignments>> C :: 175.919 CA :: 53.562 CB :: 45.415 CG :: 27.508 CD1 :: 23.796 CD2 :: 26.320 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 :: 9.135 HA :: 4.904 HB2 :: 1.559 HB3 :: 1.559 HG :: 1.445 HD1 :: 0.872 HD2 :: 0.786 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 :: 125.205 Ave N Shift Values>> N :: 121.98(4.07) Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.29 Q 0.19 E 0.06 K 0.06 C Shift Assignments>> C :: 175.369 CA :: 54.995 CB :: 31.665 CG :: 33.427 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 :: 8.871 HA :: 4.765 HB2 :: 1.979 HB3 :: 2.141 HG2 :: 2.447 HG3 :: 2.395 HE21 :: 7.674 HE22 :: 6.792 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 :: 119.454 NE2 :: 112.079 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.19 E 0.17 Y 0.1 M 0.08 F 0.05 K 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 173.795 CA :: 54.660 CB :: 36.712 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 :: 8.722 HA :: 4.575 HB2 :: 3.051 HB3 :: 3.126 HD21 :: 7.131 HD22 :: 7.857 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 :: 116.885 ND2 :: 115.483 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.4 A 0.01 C Shift Assignments>> C :: 174.538 CA :: 58.533 CB :: 41.611 CG1 :: 28.844 CG2 :: 17.406 CD1 :: 15.038 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 :: 7.193 HA :: 5.052 HB :: 1.747 HG2 :: 0.931 HG12 :: 1.292 HG13 :: 1.581 HD1 :: 0.804 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.427 Ave N Shift Values>> N :: 121.6(4.72) S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.269 CA :: 56.902 CB :: 63.509 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.252 HA :: 4.884 HB2 :: 4.066 HB3 :: 4.555 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 :: 125.961 Ave N Shift Values>> N :: 116.3(3.95) P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 176.392 CA :: 66.352 CB :: 30.940 CG :: 29.141 CD :: 50.073 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 :: 3.774 HB2 :: 1.800 HB3 :: 1.637 HG2 :: 1.930 HG3 :: 1.875 HD2 :: 4.023 HD3 :: 4.290 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) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.33 E 0.18 K 0.01 C Shift Assignments>> C :: 179.181 CA :: 60.209 CB :: 28.819 CG :: 37.706 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 :: 8.736 HA :: 3.990 HB2 :: 1.957 HB3 :: 2.101 HG2 :: 2.362 HG3 :: 2.602 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.976 Ave N Shift Values>> N :: 120.68(3.68) E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.19 M 0.03 K 0.02 C Shift Assignments>> C :: 179.514 CA :: 58.608 CB :: 30.264 CG :: 37.306 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 :: 7.565 HA :: 3.984 HB2 :: 2.339 HB3 :: 1.999 HG2 :: 2.324 HG3 :: 2.324 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 :: 118.887 Ave N Shift Values>> N :: 120.68(3.68) L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.02 C Shift Assignments>> C :: 177.991 CA :: 57.844 CB :: 41.168 CG :: 26.766 CD1 :: 24.836 CD2 :: 22.959 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 :: 8.424 HA :: 3.719 HB2 :: 1.830 HB3 :: 1.074 HG :: 1.154 HD1 :: 0.147 HD2 :: 0.500 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.683 Ave N Shift Values>> N :: 121.98(4.07) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.34 R 0.19 M 0.03 G 0.02 C Shift Assignments>> C :: 178.234 CA :: 60.019 CB :: 31.368 CG :: 24.242 CD :: 29.883 CE :: 42.353 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 :: 7.917 HA :: 3.575 HB2 :: 2.050 HB3 :: 1.945 HG2 :: 1.518 HG3 :: 1.263 HD2 :: 1.667 HD3 :: 1.570 HE2 :: 2.870 HE3 :: 2.870 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 :: 117.341 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 R 0.06 A 0.02 C Shift Assignments>> C :: 178.234 CA :: 56.392 CB :: 41.825 CG :: 26.766 CD1 :: 25.416 CD2 :: 22.503 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.994 HA :: 4.061 HB2 :: 1.892 HB3 :: 1.580 HG :: 1.840 HD1 :: 0.950 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 :: 115.964 Ave N Shift Values>> N :: 121.98(4.07) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.24 K 0.21 E 0.17 M 0.07 R 0.02 C Shift Assignments>> C :: 176.558 CA :: 55.703 CB :: 29.438 CG :: 34.485 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 :: 7.525 HA :: 4.233 HB2 :: 1.775 HB3 :: 2.191 HG2 :: 2.319 HG3 :: 2.154 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 :: 116.618 Ave N Shift Values>> N :: 120.68(3.68) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.2 A 0.14 C Shift Assignments>> C :: 174.549 CA :: 52.021 CB :: 41.273 CG :: 25.875 CD1 :: 25.281 CD2 :: 22.610 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 :: 7.117 HA :: 4.486 HB2 :: 1.659 HB3 :: 1.147 HG :: 1.787 HD1 :: 0.581 HD2 :: 0.624 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.887 Ave N Shift Values>> N :: 121.98(4.07) P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.005 CA :: 62.282 CB :: 31.961 CG :: 26.873 CD :: 50.221 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 :: 4.415 HB2 :: 2.293 HB3 :: 1.851 HG2 :: 1.940 HG3 :: 1.816 HD2 :: 3.452 HD3 :: 3.979 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) E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.11 M 0.08 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.991 CA :: 58.386 CB :: 30.703 CG :: 36.712 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 :: 8.676 HA :: 4.004 HB2 :: 1.953 HB3 :: 1.953 HG2 :: 2.339 HG3 :: 2.201 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.460 Ave N Shift Values>> N :: 120.68(3.68) R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.31 K 0.16 G 0.07 C Shift Assignments>> CA :: 54.623 CB :: 31.184 CG :: 27.805 CD :: 43.258 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 :: 8.380 HA :: 4.258 HB2 :: 2.059 HB3 :: 1.544 HG2 :: 1.498 HG3 :: 1.498 HD2 :: 3.197 HD3 :: 3.119 HE :: 7.466 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 :: 113.592 NE :: 108.675 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.33 Q 0.12 E 0.04 K 0.02 C Shift Assignments>> C :: 171.143 CA :: 53.321 CB :: 32.258 CG :: 33.595 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 :: 6.732 HA :: 4.841 HB2 :: 1.434 HB3 :: 1.989 HG2 :: 2.484 HG3 :: 2.419 HE21 :: 7.103 HE22 :: 7.609 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 :: 115.184 NE2 :: 113.025 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.53 P 0.46 C Shift Assignments>> C :: 175.421 CA :: 60.489 CB :: 30.922 CG :: 27.211 CD :: 50.370 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 :: 4.765 HB2 :: 0.046(S) HB3 :: 2.088 HG2 :: 1.677 HG3 :: 1.283 HD2 :: 3.729 HD3 :: 3.082 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) R73 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.81 G 0.16 K 0.02 C Shift Assignments>> C :: 175.088 CA :: 53.879 CB :: 38.642(M) CG :: 29.325 CD :: 42.947 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 :: 8.622 HA :: 4.562 HB2 :: 1.678 HB3 :: 1.814 HG2 :: 1.293 HG3 :: 1.293 HD2 :: 2.981 HD3 :: 2.981 HE :: 9.344(S) 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 :: 114.616 NE :: 110.755 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.33 G 0.04 C Shift Assignments>> C :: 174.269 CA :: 54.213 CB :: 42.394 CD1 :: 131.407 CD2 :: 131.407 CE1 :: 130.981 CE2 :: 130.981 CZ :: 130.802 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 :: 8.021 HA :: 5.558 HB2 :: 2.939 HB3 :: 2.939 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 6.534 HE2 :: 6.534 HZ :: 7.626 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 :: 116.507 Ave N Shift Values>> N :: 120.69(4.18) V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.32 C Shift Assignments>> C :: 175.279 CA :: 60.078 CB :: 36.267 CG1 :: 22.017 CG2 :: 22.017 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 :: 8.833 HA :: 5.221 HB :: 2.049 HG1 :: 0.838 HG2 :: 0.838 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 :: 122.369 Ave N Shift Values>> N :: 121.02(4.96) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 173.706 CA :: 61.456 CB :: 33.680 CG1 :: 23.103 CG2 :: 22.164 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 :: 8.820 HA :: 5.079 HB :: 1.710 HG1 :: 0.904 HG2 :: 0.974 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.016 Ave N Shift Values>> N :: 121.02(4.96) Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.37 G 0.09 C Shift Assignments>> C :: 173.786 CA :: 54.418 CB :: 42.831 CD1 :: 131.871 CD2 :: 131.871 CE1 :: 117.026 CE2 :: 117.026 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 :: 9.499 HA :: 5.800 HB2 :: 2.601 HB3 :: 2.927 HD1 :: 6.949 HD2 :: 6.949 HE1 :: 6.502 HE2 :: 6.502 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 :: 129.288 Ave N Shift Values>> N :: 120.79(4.69) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.596 CA :: 56.894 CB :: 63.850 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.195 HA :: 5.034 HB2 :: 3.569 HB3 :: 3.731 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 :: 123.881 Ave N Shift Values>> N :: 116.3(3.95) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.38 G 0.1 C Shift Assignments>> C :: 172.325 CA :: 54.772 CB :: 42.876 CD1 :: 133.208 CD2 :: 133.208 CE1 :: 117.174 CE2 :: 117.174 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 :: 7.659 HA :: 4.598 HB2 :: 2.395 HB3 :: 2.337 HD1 :: 6.797 HD2 :: 6.797 HE1 :: 6.545 HE2 :: 6.545 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 :: 127.852 Ave N Shift Values>> N :: 120.79(4.69) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.22 M 0.05 G 0.01 C Shift Assignments>> C :: 172.849 CA :: 56.075 CB :: 31.841 CG :: 24.961 CD :: 29.883 CE :: 42.348 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 :: 7.742 HA :: 3.796 HB2 :: 1.501 HB3 :: 1.591 HG2 :: 0.848 HG3 :: 0.645 HD2 :: 1.736 HD3 :: 1.605 HE2 :: 2.767 HE3 :: 2.865 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.583 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 173.336 CA :: 54.378 CB :: 38.939 CD1 :: 131.129 CD2 :: 131.129 CE1 :: 117.917 CE2 :: 117.917 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 :: 8.874 HA :: 4.408 HB2 :: 3.150 HB3 :: 2.477 HD1 :: 6.670 HD2 :: 6.670 HE1 :: 6.493 HE2 :: 6.493 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 :: 131.447 Ave N Shift Values>> N :: 120.79(4.69) V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.970 CA :: 62.089 CB :: 31.219 CG1 :: 20.828 CG2 :: 21.124 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 :: 8.322 HA :: 4.202 HB :: 1.901 HG1 :: 0.895 HG2 :: 0.835 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 :: 128.721 Ave N Shift Values>> N :: 121.02(4.96) H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.35 C 0.27 C Shift Assignments>> C :: 176.905 CA :: 55.400 CB :: 30.112 CD2 :: 122.370 CE1 :: 136.325 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.098 HA :: 4.300 HB2 :: 3.271 HB3 :: 3.271 HD2 :: 6.669 HE1 :: 7.983 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.118 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.06 K 0.04 N 0.02 HN Overlap>> D85 C Shift Assignments>> C :: 176.289 CA :: 57.277 CB :: 39.978 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 :: 7.960 HA :: 4.349 HB2 :: 2.753 HB3 :: 2.753 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.050 Ave N Shift Values>> N :: 120.73(4.2) D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.02 HN Overlap>> D84 C Shift Assignments>> C :: 177.415 CA :: 53.022 CB :: 40.103 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 :: 7.960 HA :: 4.537 HB2 :: 3.060 HB3 :: 2.587 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.050 Ave N Shift Values>> N :: 120.73(4.2) G86 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 C Shift Assignments>> C :: 174.691 CA :: 44.923 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.036 HA2 :: 4.287 HA3 :: 3.468 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.486 Ave N Shift Values>> N :: 109.91(4.29) R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.15 G 0.07 HN Overlap>> S98 C Shift Assignments>> C :: 174.641 CA :: 57.050 CB :: 30.625 CG :: 28.102 CD :: 43.392 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.788 HA :: 4.180 HB2 :: 1.648 HB3 :: 1.491 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 3.109 HD3 :: 3.055 HE :: 7.720 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.156 NE :: 109.999 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 176.073 CA :: 61.028 CB :: 34.468 CG1 :: 21.867 CG2 :: 22.164 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 :: 8.315 HA :: 4.942 HB :: 1.764 HG1 :: 0.882 HG2 :: 0.526 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 :: 121.346 Ave N Shift Values>> N :: 121.02(4.96) S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.04 HN Overlap>> S3 C Shift Assignments>> C :: 170.739 CA :: 56.913 CB :: 65.958 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.057 HA :: 4.691 HB2 :: 3.920 HB3 :: 4.092 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 :: 122.864 Ave N Shift Values>> N :: 116.3(3.95) Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 173.806 CA :: 55.120 CB :: 38.549 CD1 :: 133.208 CD2 :: 133.208 CE1 :: 117.471 CE2 :: 117.471 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 :: 8.530 HA :: 5.674 HB2 :: 2.831 HB3 :: 2.656 HD1 :: 6.969 HD2 :: 6.969 HE1 :: 6.574 HE2 :: 6.574 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 :: 116.618 Ave N Shift Values>> N :: 120.79(4.69) P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 174.603 CA :: 63.327 CB :: 32.598 CG :: 28.250 CD :: 50.667 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 :: 4.498 HB2 :: 1.899 HB3 :: 2.354 HG2 :: 2.286 HG3 :: 2.016 HD2 :: 3.504 HD3 :: 4.669 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) L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.23 C 0.22 R 0.12 C Shift Assignments>> C :: 176.865 CA :: 53.543 CB :: 43.986 CG :: 27.656 CD1 :: 25.578 CD2 :: 26.023 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 :: 7.958 HA :: 5.193 HB2 :: 1.774 HB3 :: 1.605 HG :: 1.733 HD1 :: 1.032 HD2 :: 0.960 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 :: 120.667 Ave N Shift Values>> N :: 121.98(4.07) C93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.13 C 0.13 H 0.13 E 0.13 M 0.1 Q 0.09 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 172.185 CA :: 56.932 CB :: 30.922 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.207 HA :: 4.992 HB2 :: 3.097 HB3 :: 2.724 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 :: 119.540 Ave N Shift Values>> N :: 119.95(4.79) F94 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 :: 173.796 CA :: 56.001 CB :: 41.124 CD1 :: 132.168 CD2 :: 132.168 CE1 :: 129.645 CE2 :: 129.645 CZ :: 128.754 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 :: 9.113 HA :: 5.467 HB2 :: 3.362 HB3 :: 2.774 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 6.780 HE2 :: 6.780 HZ :: 6.380 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.317 Ave N Shift Values>> N :: 120.69(4.18) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.47 G 0.03 C Shift Assignments>> C :: 174.180 CA :: 59.743 CB :: 42.353 CG1 :: 28.250 CG2 :: 17.079 CD1 :: 14.147 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 :: 9.444 HA :: 4.942 HB :: 1.514 HG2 :: 0.711 HG12 :: 1.749 HG13 :: 1.161 HD1 :: 0.842 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.663 Ave N Shift Values>> N :: 121.6(4.72) F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 173.848 CA :: 52.630 CB :: 38.935 CD1 :: 130.535 CD2 :: 130.535 CE1 :: 131.575 CE2 :: 131.575 CZ :: 130.771 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 :: 9.260 HA :: 5.576 HB2 :: 3.256 HB3 :: 3.529 HD1 :: 7.412 HD2 :: 7.412 HE1 :: 7.201 HE2 :: 7.201 HZ :: 7.116 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 :: 127.397 Ave N Shift Values>> N :: 120.69(4.18) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.556 CA :: 56.308 CB :: 62.275 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.600 HA :: 4.479 HB2 :: 3.100 HB3 :: 3.835 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 :: 121.990 Ave N Shift Values>> N :: 116.3(3.95) S98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.6 P 0.23 C 0.16 HN Overlap>> R87 C Shift Assignments>> CA :: 53.339 CB :: 62.098 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.789 HA :: 4.193 HB2 :: 3.226 HB3 :: 1.784(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.156 Ave N Shift Values>> N :: 116.3(3.95) P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 178.282 CA :: 62.693 CB :: 32.704 CG :: 27.646 CD :: 49.925 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 :: 4.277 HB2 :: 2.253 HB3 :: 1.694 HG2 :: 1.371 HG3 :: 1.506 HD2 :: 3.271 HD3 :: 2.665 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) V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.070 CA :: 64.379 CB :: 31.961 CG1 :: 20.976 CG2 :: 20.976 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 :: 8.156 HA :: 3.834 HB :: 2.041 HG1 :: 1.053 HG2 :: 0.983 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.227 Ave N Shift Values>> N :: 121.02(4.96) G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 175.139 CA :: 44.960 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.730 HA2 :: 4.029 HA3 :: 3.865 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.084 Ave N Shift Values>> N :: 109.91(4.29) C102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 R 0.14 C 0.13 W 0.12 K 0.11 Q 0.1 E 0.08 H 0.07 L 0.04 C Shift Assignments>> C :: 174.589 CA :: 59.091 CB :: 27.987 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.355 HA :: 4.380 HB2 :: 2.648 HB3 :: 2.870 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 :: 117.074 Ave N Shift Values>> N :: 119.95(4.79) K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.31 R 0.25 M 0.03 G 0.01 C Shift Assignments>> C :: 176.854 CA :: 55.028 CB :: 31.957 CG :: 25.281 CD :: 29.226 CE :: 42.502 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 :: 9.086 HA :: 4.536 HB2 :: 1.790 HB3 :: 2.106 HG2 :: 1.771 HG3 :: 1.663 HD2 :: 1.820 HD3 :: 1.820 HE2 :: 3.106 HE3 :: 3.106 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.939 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 178.563 CA :: 65.809 CB :: 31.900 CG :: 27.783 CD :: 51.087 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 :: 4.330 HB2 :: 2.442 HB3 :: 2.044 HG2 :: 2.120 HG3 :: 2.258 HD2 :: 3.912 HD3 :: 4.062 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) E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.27 K 0.06 Q 0.01 C Shift Assignments>> C :: 179.270 CA :: 59.871 CB :: 28.696 CG :: 36.431 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.577 HA :: 4.170 HB2 :: 2.098 HB3 :: 2.098 HG2 :: 2.379 HG3 :: 2.379 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 :: 116.807 Ave N Shift Values>> N :: 120.68(3.68) Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.21 Q 0.2 K 0.19 M 0.04 I 0.04 R 0.02 C Shift Assignments>> C :: 178.170 CA :: 58.533 CB :: 29.345 CG :: 34.610 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 :: 7.224 HA :: 4.389 HB2 :: 2.190 HB3 :: 2.284 HG2 :: 2.419 HG3 :: 2.672 HE21 :: 7.767 HE22 :: 6.977 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 :: 117.922 NE2 :: 111.890 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.17 Q 0.14 P 0.11 I 0.07 E 0.06 R 0.06 M 0.01 C Shift Assignments>> C :: 178.707 CA :: 60.861 CB :: 28.206 CG :: 33.700 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 :: 3.868 HB2 :: 2.315 HB3 :: 1.976 HG2 :: 2.388 HG3 :: 2.266 HE21 :: 7.315 HE22 :: 6.651 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 :: 120.211 NE2 :: 110.377 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.48 HN Overlap>> S149 C Shift Assignments>> C :: 179.181 CA :: 58.850 CB :: 32.704 CG :: 32.258 CE :: 17.116 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 :: 8.617 HA :: 4.276 HB2 :: 2.219 HB3 :: 2.164 HG2 :: 2.694 HG3 :: 2.772 HE :: 2.114 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.428 Ave N Shift Values>> N :: 120.1(3.88) M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 I 0.01 C Shift Assignments>> C :: 178.860 CA :: 58.980 CB :: 33.001 CG :: 32.258 CE :: 17.264 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.723 HA :: 4.342 HB2 :: 2.300 HB3 :: 2.103 HG2 :: 2.450 HG3 :: 2.751 HE :: 2.077 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.489 Ave N Shift Values>> N :: 120.1(3.88) Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 Y 0.1 C Shift Assignments>> C :: 178.106 CA :: 62.098 CB :: 38.234 CD1 :: 129.051 CD2 :: 129.051 CE1 :: 117.917 CE2 :: 117.917 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 :: 8.010 HA :: 3.951 HB2 :: 3.104 HB3 :: 2.699 HD1 :: 7.244 HD2 :: 7.244 HE1 :: 6.562 HE2 :: 6.562 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 :: 118.320 Ave N Shift Values>> N :: 120.79(4.69) A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.21 I 0.08 C 0.03 V 0.01 C Shift Assignments>> C :: 181.137 CA :: 56.160 CB :: 18.155 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.107 HA :: 4.013 HB :: 1.706 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.102 Ave N Shift Values>> N :: 123.23(3.7) G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 175.126 CA :: 46.468 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.345 HA2 :: 4.067 HA3 :: 4.067 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.572 Ave N Shift Values>> N :: 109.91(4.29) S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.271 CA :: 59.873 CB :: 64.325 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.418 HA :: 4.684 HB2 :: 3.764 HB3 :: 3.892 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 :: 113.970 Ave N Shift Values>> N :: 116.3(3.95) K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.4 R 0.07 M 0.04 C Shift Assignments>> C :: 176.328 CA :: 60.168 CB :: 32.555 CG :: 23.687 CD :: 29.586 CE :: 41.347 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 :: 7.311 HA :: 3.237 HB2 :: 1.703 HB3 :: 1.703 HG2 :: 1.058 HG3 :: 1.181 HD2 :: 1.518 HD3 :: 1.518 HE2 :: 2.901 HE3 :: 2.901 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 :: 122.102 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.22 Y 0.16 F 0.09 N 0.07 M 0.05 I 0.04 K 0.02 D 0.02 C Shift Assignments>> C :: 177.658 CA :: 56.317 CB :: 37.051 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 :: 8.652 HA :: 4.162 HB2 :: 2.658 HB3 :: 2.787 HD21 :: 7.597 HD22 :: 6.916 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 :: 116.788 ND2 :: 111.890 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.31 K 0.21 L 0.06 G 0.03 C Shift Assignments>> C :: 179.066 CA :: 58.238 CB :: 29.289 CG :: 26.573 CD :: 42.803 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 :: 8.325 HA :: 4.004 HB2 :: 1.882 HB3 :: 1.757 HG2 :: 1.602 HG3 :: 1.549 HD2 :: 3.219 HD3 :: 3.219 HE :: 7.195 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.589 NE :: 108.864 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.41 R 0.13 K 0.02 C Shift Assignments>> C :: 177.608 CA :: 57.644 CB :: 41.463 CG :: 27.360 CD1 :: 23.687 CD2 :: 26.617 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 :: 7.494 HA :: 3.804 HB2 :: 1.417 HB3 :: 1.095 HG :: 1.245 HD1 :: 0.677 HD2 :: 0.431 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 :: 123.073 Ave N Shift Values>> N :: 121.98(4.07) V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 178.081 CA :: 67.004 CB :: 31.516 CG1 :: 21.273 CG2 :: 22.164 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 :: 7.980 HA :: 2.906 HB :: 1.756 HG1 :: 0.542 HG2 :: 0.021 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.454 Ave N Shift Values>> N :: 121.02(4.96) Q119 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 0.11 R 0.07 I 0.02 M 0.02 C Shift Assignments>> C :: 179.680 CA :: 58.386 CB :: 28.382 CG :: 33.882 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 :: 7.919 HA :: 4.049 HB2 :: 2.077 HB3 :: 2.077 HG2 :: 2.327 HG3 :: 2.455 HE21 :: 6.775 HE22 :: 7.413 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 :: 116.618 NE2 :: 111.512 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T120 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 :: 174.934 CA :: 66.539 CB :: 68.778 CG2 :: 21.229 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 :: 7.994 HA :: 3.953 HB :: 4.269 HG2 :: 1.208 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 :: 116.731 Ave N Shift Values>> N :: 115.7(5.05) A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.02 C Shift Assignments>> C :: 174.755 CA :: 52.351 CB :: 18.749 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.038 HA :: 4.186 HB :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.234 Ave N Shift Values>> N :: 123.23(3.7) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.19 E 0.16 K 0.05 L 0.01 Q 0.01 C Shift Assignments>> C :: 175.318 CA :: 57.155 CB :: 26.617 CG :: 36.861 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 :: 7.621 HA :: 3.820 HB2 :: 2.128 HB3 :: 2.128 HG2 :: 2.156 HG3 :: 2.156 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 :: 113.482 Ave N Shift Values>> N :: 120.68(3.68) L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.25 R 0.21 G 0.12 A 0.01 C Shift Assignments>> C :: 176.777 CA :: 53.766 CB :: 43.383 CG :: 26.617 CD1 :: 27.656 CD2 :: 23.945 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 :: 7.267 HA :: 4.685 HB2 :: 1.494 HB3 :: 1.444 HG :: 1.625 HD1 :: 0.845 HD2 :: 0.916 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.452 Ave N Shift Values>> N :: 121.98(4.07) T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.943 CA :: 61.949 CB :: 70.114 CG2 :: 21.819 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 :: 8.280 HA :: 4.376 HB :: 4.321 HG2 :: 1.147 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.675 Ave N Shift Values>> N :: 115.7(5.05) K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.32 R 0.24 M 0.04 G 0.02 C Shift Assignments>> C :: 173.247 CA :: 55.417 CB :: 32.110 CG :: 24.683 CD :: 29.289 CE :: 42.658 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 :: 7.798 HA :: 4.405 HB2 :: 2.101 HB3 :: 1.525 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 1.757 HD3 :: 1.757 HE2 :: 3.108 HE3 :: 3.108 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.128 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V126 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 :: 174.603 CA :: 61.207 CB :: 34.362 CG1 :: 21.124 CG2 :: 20.828 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 :: 7.740 HA :: 4.588 HB :: 1.944 HG1 :: 0.891 HG2 :: 0.614 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 :: 124.182 Ave N Shift Values>> N :: 121.02(4.96) F127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.33 G 0.05 C Shift Assignments>> C :: 174.556 CA :: 54.230 CB :: 42.502 CD1 :: 131.278 CD2 :: 131.278 CE1 :: 131.880 CE2 :: 131.880 CZ :: 129.051 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 :: 9.395 HA :: 5.484 HB2 :: 3.586 HB3 :: 3.062 HD1 :: 7.118 HD2 :: 7.118 HE1 :: 6.944 HE2 :: 6.944 HZ :: 6.976 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 :: 127.397 Ave N Shift Values>> N :: 120.69(4.18) E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 E 0.2 M 0.2 HN Overlap>> L51 C Shift Assignments>> C :: 175.242 CA :: 55.417 CB :: 33.001 CG :: 36.930 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.123 HA :: 5.472 HB2 :: 2.114 HB3 :: 2.212 HG2 :: 2.350 HG3 :: 2.100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.237 Ave N Shift Values>> N :: 120.68(3.68) I129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 174.731 CA :: 59.470 CB :: 40.815 CG1 :: 26.272 CG2 :: 18.304 CD1 :: 13.234 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 :: 8.391 HA :: 4.716 HB :: 1.711 HG2 :: 0.329 HG12 :: 1.252 HG13 :: 0.676 HD1 :: 0.223 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 :: 118.320 Ave N Shift Values>> N :: 121.6(4.72) R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.32 K 0.17 L 0.03 G 0.02 C Shift Assignments>> C :: 175.446 CA :: 54.962 CB :: 30.154 CG :: 26.766 CD :: 42.650 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 :: 9.046 HA :: 4.506 HB2 :: 1.704 HB3 :: 1.993 HG2 :: 1.544 HG3 :: 1.677 HD2 :: 3.232 HD3 :: 3.120 HE :: 7.353 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.426 NE :: 108.297 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> C :: 175.307 CA :: 59.744 CB :: 69.573 CG2 :: 20.976 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 :: 7.206 HA :: 4.536 HB :: 4.256 HG2 :: 1.045 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 :: 113.482 Ave N Shift Values>> N :: 115.7(5.05) T132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 175.476 CA :: 64.986 CB :: 67.794 CG2 :: 23.351 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 :: 8.813 HA :: 3.656 HB :: 4.134 HG2 :: 1.026 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.732 Ave N Shift Values>> N :: 115.7(5.05) D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 F 0.16 L 0.15 Y 0.14 C 0.13 K 0.12 N 0.04 R 0.02 I 0.02 C Shift Assignments>> C :: 176.615 CA :: 56.120 CB :: 40.714 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 :: 7.792 HA :: 4.169 HB2 :: 2.406 HB3 :: 2.522 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 :: 118.128 Ave N Shift Values>> N :: 120.73(4.2) D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.15 C 0.13 F 0.12 Y 0.11 N 0.09 K 0.09 R 0.01 I 0.01 C Shift Assignments>> C :: 175.612 CA :: 55.163 CB :: 40.599 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 :: 7.162 HA :: 4.212 HB2 :: 1.911 HB3 :: 2.164 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.499 Ave N Shift Values>> N :: 120.73(4.2) L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.39 C Shift Assignments>> C :: 172.759 CA :: 55.566 CB :: 40.117 CG :: 27.211 CD1 :: 24.506 CD2 :: 24.506 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.955 HA :: 3.496 HB2 :: 1.762 HB3 :: 0.885 HG :: 1.284 HD1 :: 0.486 HD2 :: 0.562 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.965 Ave N Shift Values>> N :: 121.98(4.07) T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 T 0.32 A 0.04 HN Overlap>> M48 C Shift Assignments>> C :: 174.896 CA :: 58.439 CB :: 73.264 CG2 :: 21.718 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 :: 7.377 HA :: 4.557 HB :: 4.703 HG2 :: 1.165 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 :: 115.184 Ave N Shift Values>> N :: 115.7(5.05) E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.32 E 0.24 K 0.02 C Shift Assignments>> C :: 177.658 CA :: 60.762 CB :: 29.477 CG :: 36.861 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.728 HA :: 3.933 HB2 :: 2.315 HB3 :: 2.315 HG2 :: 2.495 HG3 :: 2.495 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.125 Ave N Shift Values>> N :: 120.68(3.68) T138 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 :: 175.932 CA :: 66.700 CB :: 68.778 CG2 :: 21.866 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 :: 8.167 HA :: 3.852 HB :: 4.111 HG2 :: 1.274 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 :: 114.056 Ave N Shift Values>> N :: 115.7(5.05) W139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 C 0.36 C Shift Assignments>> C :: 177.710 CA :: 61.456 CB :: 29.871 CD1 :: 127.418 CE3 :: 119.847 CZ2 :: 114.502 CZ3 :: 120.144 CH2 :: 122.667 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 :: 8.083 HA :: 4.070 HB2 :: 3.530 HB3 :: 3.404 HD1 :: 7.225 HE1 :: 10.056 HE3 :: 7.358 HZ2 :: 7.274 HZ3 :: 6.557 HH2 :: 6.709 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 :: 124.182 NE1 :: 127.964 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.13 G 0.02 C Shift Assignments>> C :: 178.285 CA :: 57.639 CB :: 42.394 CG :: 26.914 CD1 :: 23.596 CD2 :: 25.875 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 :: 3.245 HB2 :: 1.387 HB3 :: 1.583 HG :: 1.262 HD1 :: 0.723 HD2 :: 0.315 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.454 Ave N Shift Values>> N :: 121.98(4.07) K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.32 K 0.21 G 0.01 C Shift Assignments>> C :: 179.027 CA :: 60.860 CB :: 32.258 CG :: 26.873 CD :: 29.883 CE :: 42.057 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 :: 8.402 HA :: 3.577 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.209 HG3 :: 1.882 HD2 :: 1.739 HD3 :: 1.828 HE2 :: 2.996 HE3 :: 2.996 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 :: 116.996 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.07 Q 0.02 M 0.01 HN Overlap>> K143 C Shift Assignments>> C :: 179.769 CA :: 59.352 CB :: 29.039 CG :: 36.415 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 :: 7.683 HA :: 3.941 HB2 :: 2.024 HB3 :: 1.941 HG2 :: 2.353 HG3 :: 2.079 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 :: 118.887 Ave N Shift Values>> N :: 120.68(3.68) K143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.39 L 0.05 K 0.04 A 0.02 G 0.01 HN Overlap>> E142 C Shift Assignments>> C :: 179.815 CA :: 56.727 CB :: 29.735 CG :: 21.960 CD :: 26.914 CE :: 42.205 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 :: 7.675 HA :: 3.569 HB2 :: 0.779(S) HB3 :: 0.194(S) HG2 :: 0.166(S) HG3 :: -0.564(S) HD2 :: 0.947 HD3 :: 0.967 HE2 :: 2.403 HE3 :: 2.683 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 :: 118.928 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.36 R 0.13 A 0.01 G 0.01 C Shift Assignments>> C :: 178.004 CA :: 56.522 CB :: 42.057 CG :: 26.766 CD1 :: 22.906 CD2 :: 26.469 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 :: 8.001 HA :: 4.048 HB2 :: 1.519 HB3 :: 1.138 HG :: 1.606 HD1 :: 0.948 HD2 :: 0.561 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.888 Ave N Shift Values>> N :: 121.98(4.07) A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.29 C 0.02 C Shift Assignments>> C :: 178.388 CA :: 53.450 CB :: 19.098 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.660 HA :: 4.297 HB :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.724 Ave N Shift Values>> N :: 123.23(3.7) S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.679 CA :: 58.850 CB :: 64.114 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.692 HA :: 4.487 HB2 :: 3.966 HB3 :: 3.966 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 :: 113.025 Ave N Shift Values>> N :: 116.3(3.95) G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 172.039 CA :: 44.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.085 HA2 :: 4.132 HA3 :: 4.279 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.377 Ave N Shift Values>> N :: 109.91(4.29) P148 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 :: 177.516 CA :: 63.402 CB :: 32.249 CG :: 27.146 CD :: 49.904 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 :: 4.524 HB2 :: 2.344 HB3 :: 2.020 HG2 :: 2.071 HG3 :: 2.071 HD2 :: 3.700 HD3 :: 3.700 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) S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> M108 C Shift Assignments>> C :: 174.729 CA :: 58.514 CB :: 64.026 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.579 HA :: 4.549 HB2 :: 3.941 HB3 :: 3.941 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 :: 116.428 Ave N Shift Values>> N :: 116.3(3.95) S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.988 CA :: 58.384 CB :: 63.928 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.337 HA :: 4.539 HB2 :: 3.953 HB3 :: 3.953 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.642 Ave N Shift Values>> N :: 116.3(3.95) G151 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 HN Overlap>> K26 C Shift Assignments>> C :: 179.748 CA :: 46.362 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.117 HA2 :: 3.844 HA3 :: 3.792 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.885 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 146 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 149 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 682 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 921 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 161 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A37 CB = 25.711(S), Expected = 18.90, Std = 1.8500, ChiSquare = 2.3176e-04 A37 HA = 5.981(S), Expected = 4.26, Std = 0.4200, ChiSquare = 4.1742e-05 P72 HB2 = 0.046(S), Expected = 2.05, Std = 0.3900, ChiSquare = 2.7700e-07 R73 Typing: Mistyped R73 CB = 38.642(M), Expected = 30.66, Std = 1.7700, ChiSquare = 6.4949e-06 R73 HE = 9.344(S), Expected = 7.32, Std = 0.5200, ChiSquare = 9.9295e-05 S98 HB3 = 1.784(S), Expected = 3.87, Std = 0.3100, ChiSquare = 1.7080e-11 K143 HB2 = 0.779(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.2547e-05 K143 HB3 = 0.194(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0607e-09 K143 HG2 = 0.166(S), Expected = 1.38, Std = 0.2700, ChiSquare = 6.9147e-06 K143 HG3 = -0.564(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.5761e-11