G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.190 CA :: 58.879 CB :: 63.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.473 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) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.102 CA :: 45.490 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.450 HA2 :: 3.984 HA3 :: 3.984 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.703 Ave N Shift Values>> N :: 109.91(4.29) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.12 M 0.09 R 0.03 C Shift Assignments>> C :: 175.927 CA :: 55.887 CB :: 29.579 CG :: 33.858 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 :: 8.194 HA :: 4.361 HB2 :: 1.992 HB3 :: 2.111 HG2 :: 2.106 HG3 :: 2.362 HE21 :: 7.561 HE22 :: 6.883 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 :: 119.888 NE2 :: 112.369 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.12 G 0.06 C Shift Assignments>> C :: 176.169 CA :: 56.129 CB :: 30.908 CG :: 27.119 CD :: 43.293 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 :: 8.436 HA :: 4.404 HB2 :: 1.790 HB3 :: 1.874 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 3.216 HD3 :: 3.216 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.612 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I10 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 :: 175.554 CA :: 61.036 CB :: 39.068 CG1 :: 27.545 CG2 :: 17.506 CD1 :: 13.392 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 :: 8.205 HA :: 4.205 HB :: 1.843 HG2 :: 0.898 HG12 :: 1.202 HG13 :: 1.498 HD1 :: 0.864 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.084 Ave N Shift Values>> N :: 121.6(4.72) S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K65 C Shift Assignments>> C :: 174.447 CA :: 58.018 CB :: 63.940 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.288 HA :: 4.499 HB2 :: 3.822 HB3 :: 3.893 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 :: 119.419 Ave N Shift Values>> N :: 116.3(3.95) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.07 A 0.02 G 0.01 C Shift Assignments>> C :: 176.736 CA :: 54.912 CB :: 42.045 CG :: 27.051 CD1 :: 25.232 CD2 :: 23.348 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 :: 8.348 HA :: 4.493 HB2 :: 1.658 HB3 :: 1.658 HG :: 1.655 HD1 :: 0.920 HD2 :: 0.821 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.792 Ave N Shift Values>> N :: 121.98(4.07) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.15 K 0.05 Q 0.03 I 0.03 HN Overlap>> Q39 C Shift Assignments>> C :: 175.730 CA :: 56.315 CB :: 30.867 CG :: 36.285 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 :: 8.119 HA :: 4.301 HB2 :: 1.943 HB3 :: 2.063 HG2 :: 2.229 HG3 :: 2.251 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 :: 120.258 Ave N Shift Values>> N :: 120.68(3.68) I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.463 CA :: 61.531 CB :: 38.901 CG1 :: 28.532 CG2 :: 17.808 CD1 :: 13.145 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 :: 8.200 HA :: 4.376 HB :: 1.718 HG2 :: 0.807 HG12 :: 1.602 HG13 :: 0.941 HD1 :: 0.806 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.621 Ave N Shift Values>> N :: 121.6(4.72) M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.34 A 0.26 I 0.01 C Shift Assignments>> C :: 174.566 CA :: 54.642 CB :: 36.157 CG :: 31.742 CE :: 17.154 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 :: 9.159 HA :: 4.682 HB2 :: 1.750 HB3 :: 1.943 HG2 :: 2.421 HG3 :: 2.463 HE :: 1.962 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 :: 127.197 Ave N Shift Values>> N :: 120.1(3.88) T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.791 CA :: 62.387 CB :: 69.576 CG2 :: 21.785 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 :: 8.721 HA :: 5.122 HB :: 3.958 HG2 :: 1.118 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 :: 120.616 Ave N Shift Values>> N :: 115.7(5.05) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.25 L 0.14 C Shift Assignments>> C :: 175.663 CA :: 52.990 CB :: 46.088 CG :: 27.515 CD1 :: 27.245 CD2 :: 24.549 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 :: 9.349 HA :: 4.857 HB2 :: 1.499 HB3 :: 1.570 HG :: 1.604 HD1 :: 0.812 HD2 :: 0.928 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.663 Ave N Shift Values>> N :: 121.98(4.07) Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.19 M 0.11 E 0.1 R 0.02 C Shift Assignments>> C :: 172.355 CA :: 53.017 CB :: 29.579 CG :: 34.398 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 :: 8.913 HA :: 5.562 HB2 :: 1.960 HB3 :: 2.175 HG2 :: 2.263 HG3 :: 2.316 HE21 :: 6.841 HE22 :: 7.272 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 :: 120.042 NE2 :: 110.692 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 174.287 CA :: 62.494 CB :: 32.845 CG :: 28.324 CD :: 49.680 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 :: 4.737 HB2 :: 1.772 HB3 :: 2.072 HG2 :: 1.676 HG3 :: 1.876 HD2 :: 3.068 HD3 :: 3.696 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) R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.21 G 0.15 K 0.12 C Shift Assignments>> C :: 174.871 CA :: 54.976 CB :: 34.051 CG :: 27.245 CD :: 43.673 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 :: 9.531 HA :: 5.208 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.391 HG3 :: 1.573 HD2 :: 3.191 HD3 :: 3.191 HE :: 7.461 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 :: 123.150 NE :: 85.045 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.15 H 0.14 E 0.14 M 0.12 K 0.1 Q 0.1 V 0.02 I 0.01 C Shift Assignments>> C :: 172.426 CA :: 56.899 CB :: 31.020 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.885 HA :: 4.693 HB2 :: 2.863 HB3 :: 2.552 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 :: 120.337 Ave N Shift Values>> N :: 119.95(4.79) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 M 0.25 Q 0.03 K 0.02 C Shift Assignments>> C :: 174.884 CA :: 55.157 CB :: 31.780 CG :: 36.143 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 :: 8.801 HA :: 4.710 HB2 :: 1.849 HB3 :: 1.895 HG2 :: 2.096 HG3 :: 2.236 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.939 Ave N Shift Values>> N :: 120.68(3.68) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 Y 0.18 D 0.17 F 0.16 N 0.15 L 0.06 I 0.02 E 0.02 C Shift Assignments>> C :: 174.293 CA :: 55.556 CB :: 39.198 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 :: 7.914 HA :: 3.875 HB2 :: 2.685 HB3 :: 2.738 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 :: 122.218 Ave N Shift Values>> N :: 120.73(4.2) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.426 CA :: 61.530 CB :: 32.782 CG1 :: 22.662 CG2 :: 22.690 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 :: 8.961 HA :: 4.171 HB :: 1.979 HG1 :: 0.888 HG2 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.428 Ave N Shift Values>> N :: 121.02(4.96) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.12 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.506 CA :: 56.958 CB :: 30.853 CG :: 36.682 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 :: 8.343 HA :: 4.438 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 2.261 HG3 :: 2.069 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 :: 125.293 Ave N Shift Values>> N :: 120.68(3.68) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> V107 C Shift Assignments>> C :: 177.448 CA :: 61.880 CB :: 70.350 CG2 :: 22.931 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 :: 8.190 HA :: 4.658 HB :: 5.196 HG2 :: 1.177 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 :: 112.422 Ave N Shift Values>> N :: 115.7(5.05) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.31 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 179.128 CA :: 55.529 CB :: 18.369 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.938 HA :: 4.085 HB :: 1.140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.692 Ave N Shift Values>> N :: 123.23(3.7) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 K 0.08 I 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 176.879 CA :: 55.506 CB :: 29.402 CG :: 36.761 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 :: 9.078 HA :: 4.713 HB2 :: 1.958 HB3 :: 2.323 HG2 :: 2.114 HG3 :: 2.361 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 :: 114.341 Ave N Shift Values>> N :: 120.68(3.68) G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.946 CA :: 46.074 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.076 HA2 :: 3.695 HA3 :: 4.221 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.495 Ave N Shift Values>> N :: 109.91(4.29) V30 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 :: 175.068 CA :: 62.065 CB :: 32.368 CG1 :: 21.044 CG2 :: 21.314 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 :: 7.277 HA :: 3.965 HB :: 1.857 HG1 :: 0.795 HG2 :: 0.713 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 :: 121.475 Ave N Shift Values>> N :: 121.02(4.96) A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> C :: 176.522 CA :: 51.336 CB :: 18.844 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.534 HA :: 4.542 HB :: 1.182 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.955 Ave N Shift Values>> N :: 123.23(3.7) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.38 L 0.16 A 0.02 HN Overlap>> I42 C Shift Assignments>> C :: 176.042 CA :: 53.619 CB :: 46.892 CG :: 26.706 CD1 :: 24.154 CD2 :: 26.580 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 :: 8.984 HA :: 5.007 HB2 :: 1.345 HB3 :: 1.492 HG :: 1.633 HD1 :: 0.801 HD2 :: 0.676 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 :: 125.424 Ave N Shift Values>> N :: 121.98(4.07) T33 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 :: 173.446 CA :: 61.932 CB :: 71.194 CG2 :: 20.797 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 :: 8.689 HA :: 5.194 HB :: 3.388 HG2 :: 1.057 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.489 Ave N Shift Values>> N :: 115.7(5.05) V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.29 C Shift Assignments>> C :: 173.965 CA :: 60.140 CB :: 36.133 CG1 :: 22.392 CG2 :: 22.662 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 :: 8.607 HA :: 5.089 HB :: 1.888 HG1 :: 1.050 HG2 :: 1.000 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 :: 125.034 Ave N Shift Values>> N :: 121.02(4.96) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 174.489 CA :: 59.869 CB :: 70.969 CG2 :: 21.785 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 :: 8.841 HA :: 5.187 HB :: 4.233 HG2 :: 1.217 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 :: 118.435 Ave N Shift Values>> N :: 115.7(5.05) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.659 CA :: 44.367 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.049 HA2 :: 4.814 HA3 :: 3.500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.046 Ave N Shift Values>> N :: 109.91(4.29) V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.041 CA :: 61.443 CB :: 34.813 CG1 :: 21.044 CG2 :: 21.583 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 :: 8.404 HA :: 4.835 HB :: 1.751 HG1 :: 0.795 HG2 :: 0.817 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.065 Ave N Shift Values>> N :: 121.02(4.96) A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.29 A 0.17 P 0.06 M 0.05 K 0.04 G 0.03 C Shift Assignments>> C :: 175.273 CA :: 49.589 CB :: 23.361 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.460 HA :: 5.445 HB :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.280 Ave N Shift Values>> N :: 123.23(3.7) Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.26 Q 0.23 E 0.11 K 0.1 HN Overlap>> E13 C Shift Assignments>> C :: 175.922 CA :: 54.833 CB :: 30.950 CG :: 33.963 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 :: 8.197 HA :: 5.449 HB2 :: 1.783 HB3 :: 2.052 HG2 :: 2.243 HG3 :: 2.243 HE21 :: 7.318 HE22 :: 6.735 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 :: 120.331 NE2 :: 111.416 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.21 A 0.03 C Shift Assignments>> C :: 172.741 CA :: 58.203 CB :: 34.851 CG1 :: 19.316 CG2 :: 21.291 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 :: 9.228 HA :: 5.470 HB :: 2.206 HG1 :: 0.783 HG2 :: 0.778 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.927 Ave N Shift Values>> N :: 121.02(4.96) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.2 R 0.07 A 0.03 M 0.03 G 0.01 C Shift Assignments>> C :: 174.460 CA :: 54.812 CB :: 36.815 CG :: 23.345 CD :: 29.276 CE :: 41.946 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 :: 8.822 HA :: 4.912 HB2 :: 1.724 HB3 :: 1.724 HG2 :: 1.370 HG3 :: 1.258 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.992 HE3 :: 2.992 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 :: 119.110 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 HN Overlap>> L32 C Shift Assignments>> C :: 175.935 CA :: 61.665 CB :: 38.300 CG1 :: 28.593 CG2 :: 17.753 CD1 :: 13.145 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 :: 8.985 HA :: 4.285 HB :: 1.773 HG2 :: 0.988 HG12 :: 1.120 HG13 :: 1.583 HD1 :: 0.838 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.379 Ave N Shift Values>> N :: 121.6(4.72) M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.43 A 0.07 C Shift Assignments>> C :: 175.524 CA :: 56.805 CB :: 34.023 CG :: 33.447 CE :: 17.554 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 :: 8.532 HA :: 4.372 HB2 :: 1.802 HB3 :: 2.147 HG2 :: 2.547 HG3 :: 2.420 HE :: 2.021 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 :: 126.804 Ave N Shift Values>> N :: 120.1(3.88) T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.086 CA :: 61.778 CB :: 70.318 CG2 :: 22.114 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 :: 8.116 HA :: 4.347 HB :: 4.380 HG2 :: 1.255 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 :: 110.927 Ave N Shift Values>> N :: 115.7(5.05) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.14 K 0.07 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.650 CA :: 58.519 CB :: 29.750 CG :: 36.432 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 :: 8.583 HA :: 4.152 HB2 :: 2.095 HB3 :: 2.061 HG2 :: 2.341 HG3 :: 2.341 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 :: 121.905 Ave N Shift Values>> N :: 120.68(3.68) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 G 0.01 HN Overlap>> I79 C Shift Assignments>> C :: 178.169 CA :: 58.791 CB :: 32.297 CG :: 24.963 CD :: 29.133 CE :: 42.215 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 :: 8.357 HA :: 4.083 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 1.500 HG3 :: 1.422 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 3.009 HE3 :: 3.009 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.422 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.59 C 0.34 R 0.05 C Shift Assignments>> C :: 178.363 CA :: 56.634 CB :: 41.535 CG :: 27.119 CD1 :: 24.994 CD2 :: 23.924 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>> HA :: 4.208 HB2 :: 1.597 HB3 :: 1.724 HG :: 1.657 HD1 :: 0.916 HD2 :: 0.897 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) L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 R 0.08 G 0.01 HN Overlap>> K134 C Shift Assignments>> C :: 178.440 CA :: 56.651 CB :: 41.976 CG :: 26.969 CD1 :: 24.007 CD2 :: 25.232 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 :: 7.979 HA :: 4.210 HB2 :: 1.611 HB3 :: 1.741 HG :: 1.666 HD1 :: 0.887 HD2 :: 0.915 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 :: 120.201 Ave N Shift Values>> N :: 121.98(4.07) A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.35 C 0.02 C Shift Assignments>> C :: 178.953 CA :: 53.933 CB :: 18.879 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.765 HA :: 4.259 HB :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.113 Ave N Shift Values>> N :: 123.23(3.7) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 176.552 CA :: 63.220 CB :: 32.623 CG1 :: 21.044 CG2 :: 21.314 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 :: 7.639 HA :: 4.094 HB :: 2.219 HG1 :: 1.022 HG2 :: 0.938 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.014 Ave N Shift Values>> N :: 121.02(4.96) A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.29 C 0.02 C Shift Assignments>> C :: 178.203 CA :: 53.394 CB :: 18.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.135 HA :: 4.336 HB :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.533 Ave N Shift Values>> N :: 123.23(3.7) C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.16 R 0.14 K 0.1 Q 0.08 E 0.08 H 0.06 L 0.03 P 0.03 V 0.01 C Shift Assignments>> C :: 175.677 CA :: 59.905 CB :: 27.922 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.258 HA :: 4.469 HB2 :: 2.941 HB3 :: 3.027 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 :: 116.748 Ave N Shift Values>> N :: 119.95(4.79) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.14 K 0.07 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.640 CA :: 58.521 CB :: 29.619 CG :: 36.412 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 :: 8.469 HA :: 4.119 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.295 HG3 :: 2.295 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.489 Ave N Shift Values>> N :: 120.68(3.68) Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 E 0.1 R 0.07 M 0.03 I 0.01 HN Overlap>> S138 C Shift Assignments>> C :: 176.621 CA :: 57.497 CB :: 28.634 CG :: 33.717 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 :: 8.267 HA :: 4.111 HB2 :: 1.827 HB3 :: 1.827 HG2 :: 2.109 HG3 :: 2.109 HE21 :: 7.364 HE22 :: 6.816 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.139 NE2 :: 111.864 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 175.852 CA :: 57.580 CB :: 39.331 CD1 :: 131.590 CD2 :: 131.590 CE1 :: 131.578 CE2 :: 131.578 CZ :: 129.907 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 :: 8.054 HA :: 4.675 HB2 :: 3.296 HB3 :: 3.014 HD1 :: 7.238 HD2 :: 7.238 HE1 :: 7.331 HE2 :: 7.331 HZ :: 7.275 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.556 Ave N Shift Values>> N :: 120.69(4.18) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.07 G 0.01 C Shift Assignments>> C :: 178.012 CA :: 56.341 CB :: 41.968 CG :: 26.976 CD1 :: 25.088 CD2 :: 24.010 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 :: 7.772 HA :: 4.240 HB2 :: 1.612 HB3 :: 1.738 HG :: 1.669 HD1 :: 0.951 HD2 :: 0.896 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 :: 121.959 Ave N Shift Values>> N :: 121.98(4.07) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.273 CA :: 45.647 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.471 HA2 :: 3.875 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.399 Ave N Shift Values>> N :: 109.91(4.29) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 176.029 CA :: 55.636 CB :: 33.529 CG :: 25.358 CD :: 28.779 CE :: 42.439 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 :: 7.900 HA :: 4.491 HB2 :: 1.868 HB3 :: 1.957 HG2 :: 1.519 HG3 :: 1.410 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 3.025 HE3 :: 3.025 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 :: 119.454 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.24 C 0.13 Y 0.06 F 0.05 L 0.05 C Shift Assignments>> C :: 176.114 CA :: 52.568 CB :: 39.372 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 :: 8.717 HA :: 4.781 HB2 :: 2.927 HB3 :: 2.983 HD21 :: 6.928 HD22 :: 7.635 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 :: 118.988 ND2 :: 113.142 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> D124 L129 C Shift Assignments>> C :: 176.799 CA :: 65.759 CB :: 31.776 CG1 :: 22.267 CG2 :: 21.044 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 :: 8.450 HA :: 3.746 HB :: 2.104 HG1 :: 1.038 HG2 :: 0.970 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.670 Ave N Shift Values>> N :: 121.02(4.96) Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.23 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 177.677 CA :: 58.487 CB :: 28.285 CG :: 33.986 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 :: 8.369 HA :: 4.017 HB2 :: 2.103 HB3 :: 2.103 HG2 :: 2.433 HG3 :: 2.433 HE21 :: 7.554 HE22 :: 6.968 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 :: 120.271 NE2 :: 113.332 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 F 0.16 L 0.16 Y 0.14 D 0.13 C 0.13 R 0.03 N 0.02 I 0.02 C Shift Assignments>> C :: 178.520 CA :: 56.621 CB :: 41.014 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.945 HA :: 4.563 HB2 :: 2.798 HB3 :: 2.894 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 :: 119.243 Ave N Shift Values>> N :: 120.73(4.2) I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> V67 I88 C Shift Assignments>> C :: 177.316 CA :: 64.348 CB :: 37.981 CG1 :: 28.324 CG2 :: 16.932 CD1 :: 13.392 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 :: 7.836 HA :: 3.648 HB :: 1.868 HG2 :: 0.621 HG12 :: 0.741 HG13 :: 1.503 HD1 :: 0.740 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 :: 120.536 Ave N Shift Values>> N :: 121.6(4.72) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 K 0.27 G 0.02 HN Overlap>> S11 C Shift Assignments>> C :: 177.937 CA :: 61.050 CB :: 32.368 CG :: 26.228 CD :: 29.931 CE :: 42.192 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 :: 8.337 HA :: 3.622 HB2 :: 1.835 HB3 :: 1.917 HG2 :: 1.250 HG3 :: 1.687 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.889 HE3 :: 2.940 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 :: 119.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 F 0.16 N 0.09 E 0.09 D 0.07 I 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 177.989 CA :: 56.320 CB :: 38.213 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 :: 7.962 HA :: 4.526 HB2 :: 2.871 HB3 :: 2.992 HD21 :: 7.858 HD22 :: 6.968 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.717 ND2 :: 112.612 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> I64 I88 C Shift Assignments>> C :: 179.652 CA :: 66.222 CB :: 31.812 CG1 :: 22.537 CG2 :: 21.583 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 :: 7.903 HA :: 3.903 HB :: 2.268 HG1 :: 1.169 HG2 :: 1.048 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.529 Ave N Shift Values>> N :: 121.02(4.96) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> Q136 C Shift Assignments>> C :: 177.734 CA :: 67.504 CB :: 30.964 CG1 :: 22.392 CG2 :: 24.154 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 :: 8.518 HA :: 3.406 HB :: 2.105 HG1 :: 0.825 HG2 :: 1.051 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 :: 122.878 Ave N Shift Values>> N :: 121.02(4.96) L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.37 R 0.11 G 0.02 C Shift Assignments>> C :: 178.197 CA :: 59.244 CB :: 42.371 CG :: 26.976 CD1 :: 24.279 CD2 :: 25.628 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 :: 8.752 HA :: 3.823 HB2 :: 1.795 HB3 :: 2.001 HG :: 1.609 HD1 :: 0.916 HD2 :: 0.986 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 :: 121.235 Ave N Shift Values>> N :: 121.98(4.07) Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.21 Q 0.21 E 0.14 I 0.05 R 0.04 M 0.01 C Shift Assignments>> CA :: 59.390 CB :: 28.593 CG :: 34.210 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 :: 8.062 HA :: 4.127 HB2 :: 2.189 HB3 :: 2.248 HG2 :: 2.474 HG3 :: 2.609 HE21 :: 7.455 HE22 :: 6.838 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 :: 116.719 NE2 :: 111.499 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T71 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 :: 177.137 CA :: 66.931 CB :: 68.428 CG2 :: 22.032 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 :: 8.104 HA :: 3.998 HB :: 4.314 HG2 :: 1.300 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.994 Ave N Shift Values>> N :: 115.7(5.05) L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.37 R 0.09 G 0.02 C Shift Assignments>> C :: 178.395 CA :: 58.752 CB :: 42.220 CG :: 26.580 CD1 :: 26.041 CD2 :: 22.537 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 :: 8.613 HA :: 3.870 HB2 :: 1.138 HB3 :: 2.002 HG :: 1.779 HD1 :: 0.592 HD2 :: 0.504 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 :: 121.462 Ave N Shift Values>> N :: 121.98(4.07) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.33 E 0.06 C Shift Assignments>> C :: 178.628 CA :: 60.474 CB :: 29.032 CG :: 38.980 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 :: 8.831 HA :: 3.723 HB2 :: 1.963 HB3 :: 2.209 HG2 :: 2.222 HG3 :: 2.609 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 :: 118.093 Ave N Shift Values>> N :: 120.68(3.68) G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 177.056 CA :: 47.309 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.053 HA2 :: 3.892 HA3 :: 3.797 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.247 Ave N Shift Values>> N :: 109.91(4.29) H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 H 0.33 HN Overlap>> R109 C Shift Assignments>> C :: 177.127 CA :: 59.909 CB :: 31.252 CD2 :: 117.291 CE1 :: 140.062 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 :: 7.398 HA :: 4.592 HB2 :: 2.850 HB3 :: 2.922 HD2 :: 6.760 HE1 :: 7.802 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 :: 120.683 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.36 R 0.17 G 0.02 C Shift Assignments>> C :: 177.539 CA :: 58.966 CB :: 42.488 CG :: 27.515 CD1 :: 25.088 CD2 :: 25.628 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 :: 8.503 HA :: 3.997 HB2 :: 1.480 HB3 :: 2.136 HG :: 1.679 HD1 :: 0.879 HD2 :: 0.844 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 :: 121.746 Ave N Shift Values>> N :: 121.98(4.07) R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.38 K 0.1 G 0.1 C Shift Assignments>> CA :: 60.140 CB :: 30.750 CG :: 28.467 CD :: 43.423 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 :: 8.248 HA :: 3.930 HB2 :: 1.956 HB3 :: 2.138 HG2 :: 1.594 HG3 :: 1.857 HD2 :: 3.395 HD3 :: 3.258 HE :: 7.550 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.126 NE :: 83.940 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.489 CA :: 61.488 CB :: 62.987 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.941 HA :: 4.188 HB2 :: 4.048 HB3 :: 4.100 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.860 Ave N Shift Values>> N :: 116.3(3.95) I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 HN Overlap>> K46 C Shift Assignments>> C :: 180.038 CA :: 62.242 CB :: 36.235 CG1 :: 28.054 CG2 :: 18.348 CD1 :: 10.182 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 :: 8.439 HA :: 3.934 HB :: 2.162 HG2 :: 0.998 HG12 :: 1.365 HG13 :: 1.799 HD1 :: 0.797 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 :: 120.385 Ave N Shift Values>> N :: 121.6(4.72) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 L 0.19 K 0.04 G 0.02 C Shift Assignments>> C :: 177.543 CA :: 59.838 CB :: 42.294 CG :: 28.054 CD1 :: 26.850 CD2 :: 25.502 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 :: 8.422 HA :: 3.648 HB2 :: 1.985 HB3 :: 1.603 HG :: 1.661 HD1 :: 0.785 HD2 :: 0.678 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 :: 123.999 Ave N Shift Values>> N :: 121.98(4.07) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 174.701 CA :: 46.297 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.158 HA2 :: 4.442 HA3 :: 3.818 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 98.542 Ave N Shift Values>> N :: 109.91(4.29) T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.379 CA :: 61.605 CB :: 70.699 CG2 :: 21.620 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 :: 7.883 HA :: 4.547 HB :: 4.441 HG2 :: 1.346 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 :: 108.366 Ave N Shift Values>> N :: 115.7(5.05) L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.18 C 0.15 A 0.08 R 0.01 C Shift Assignments>> C :: 175.872 CA :: 53.438 CB :: 45.259 CG :: 25.897 CD1 :: 26.580 CD2 :: 22.537 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 :: 7.521 HA :: 4.846 HB2 :: 1.357 HB3 :: 1.590 HG :: 1.715 HD1 :: 0.345 HD2 :: 0.650 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.407 Ave N Shift Values>> N :: 121.98(4.07) T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.2 C Shift Assignments>> C :: 176.155 CA :: 59.600 CB :: 71.076 CG2 :: 22.032 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 :: 8.374 HA :: 5.119 HB :: 4.792 HG2 :: 1.226 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 :: 109.963 Ave N Shift Values>> N :: 115.7(5.05) V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.595 CA :: 67.419 CB :: 31.597 CG1 :: 23.740 CG2 :: 21.785 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 :: 9.629 HA :: 3.480 HB :: 1.991 HG1 :: 0.979 HG2 :: 0.841 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 :: 121.253 Ave N Shift Values>> N :: 121.02(4.96) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.807 CA :: 60.140 CB :: 29.604 CG :: 36.432 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 :: 8.434 HA :: 4.039 HB2 :: 1.948 HB3 :: 2.051 HG2 :: 2.258 HG3 :: 2.291 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.536 Ave N Shift Values>> N :: 120.68(3.68) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.11 Q 0.11 I 0.08 M 0.06 C Shift Assignments>> C :: 178.966 CA :: 59.062 CB :: 29.942 CG :: 35.280 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 :: 7.603 HA :: 4.035 HB2 :: 2.390 HB3 :: 1.956 HG2 :: 2.464 HG3 :: 2.464 HE21 :: 6.779 HE22 :: 7.593 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 :: 117.420 NE2 :: 111.221 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> I64 V67 C Shift Assignments>> C :: 176.096 CA :: 65.244 CB :: 38.300 CG1 :: 29.815 CG2 :: 17.262 CD1 :: 15.037 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 :: 7.863 HA :: 3.373 HB :: 1.656 HG2 :: 0.545 HG12 :: 0.247 HG13 :: 1.449 HD1 :: 0.450 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 :: 120.540 Ave N Shift Values>> N :: 121.6(4.72) Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 179.551 CA :: 61.218 CB :: 38.475 CD1 :: 132.478 CD2 :: 132.478 CE1 :: 118.265 CE2 :: 118.265 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 :: 8.174 HA :: 4.229 HB2 :: 3.042 HB3 :: 2.965 HD1 :: 7.182 HD2 :: 7.182 HE1 :: 6.714 HE2 :: 6.714 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 :: 113.783 Ave N Shift Values>> N :: 120.79(4.69) Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.15 M 0.04 R 0.04 I 0.01 C Shift Assignments>> C :: 176.735 CA :: 57.625 CB :: 29.113 CG :: 34.128 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 :: 8.350 HA :: 4.335 HB2 :: 2.173 HB3 :: 2.238 HG2 :: 2.528 HG3 :: 2.584 HE21 :: 7.597 HE22 :: 6.836 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 :: 116.350 NE2 :: 111.385 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.21 L 0.14 C 0.11 F 0.06 Y 0.05 K 0.05 C Shift Assignments>> C :: 176.100 CA :: 53.114 CB :: 40.660 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 :: 7.700 HA :: 5.082 HB2 :: 3.066 HB3 :: 2.582 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 :: 119.157 Ave N Shift Values>> N :: 120.73(4.2) R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.18 K 0.02 C Shift Assignments>> C :: 178.747 CA :: 59.688 CB :: 30.269 CG :: 27.298 CD :: 43.962 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 :: 8.638 HA :: 4.248 HB2 :: 1.947 HB3 :: 2.021 HG2 :: 1.873 HG3 :: 1.807 HD2 :: 3.121 HD3 :: 3.234 HE :: 7.364 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 :: 124.659 NE :: 84.871 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 L 0.09 D 0.09 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 178.823 CA :: 57.496 CB :: 40.283 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 :: 8.616 HA :: 4.562 HB2 :: 2.834 HB3 :: 2.725 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.151 Ave N Shift Values>> N :: 120.73(4.2) Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.25 Q 0.23 R 0.12 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 177.847 CA :: 58.286 CB :: 28.090 CG :: 33.305 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 :: 8.043 HA :: 4.197 HB2 :: 1.988 HB3 :: 2.179 HG2 :: 2.469 HG3 :: 2.330 HE21 :: 7.405 HE22 :: 6.884 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.186 NE2 :: 110.802 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F95 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 :: 176.440 CA :: 58.767 CB :: 37.943 CD1 :: 131.590 CD2 :: 131.590 CE1 :: 130.251 CE2 :: 130.251 CZ :: 128.889 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 :: 7.558 HA :: 4.528 HB2 :: 3.361 HB3 :: 3.419 HD1 :: 7.195 HD2 :: 7.195 HE1 :: 7.054 HE2 :: 7.054 HZ :: 7.001 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.486 Ave N Shift Values>> N :: 120.69(4.18) A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.28 I 0.04 C 0.04 V 0.02 C Shift Assignments>> C :: 179.102 CA :: 55.798 CB :: 18.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.021 HA :: 3.706 HB :: 1.581 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.027 Ave N Shift Values>> N :: 123.23(3.7) K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 178.411 CA :: 59.951 CB :: 32.628 CG :: 25.088 CD :: 29.942 CE :: 42.192 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 :: 7.925 HA :: 3.950 HB2 :: 1.950 HB3 :: 2.017 HG2 :: 1.554 HG3 :: 1.369 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.657 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.32 R 0.09 G 0.03 C Shift Assignments>> C :: 179.742 CA :: 57.868 CB :: 42.597 CG :: 26.850 CD1 :: 25.232 CD2 :: 23.076 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 :: 8.059 HA :: 4.120 HB2 :: 1.615 HB3 :: 2.112 HG :: 1.913 HD1 :: 0.982 HD2 :: 0.941 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 :: 119.372 Ave N Shift Values>> N :: 121.98(4.07) V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> D121 C Shift Assignments>> C :: 176.970 CA :: 66.054 CB :: 31.033 CG1 :: 20.777 CG2 :: 23.201 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 :: 7.753 HA :: 3.341 HB :: 1.782 HG1 :: 0.188 HG2 :: 0.878 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 :: 117.068 Ave N Shift Values>> N :: 121.02(4.96) R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.16 K 0.04 C Shift Assignments>> C :: 177.362 CA :: 60.591 CB :: 30.481 CG :: 27.785 CD :: 43.692 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.080 HA :: 3.429 HB2 :: 1.845 HB3 :: 2.071 HG2 :: 1.684 HG3 :: 1.563 HD2 :: 3.140 HD3 :: 3.222 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 :: 118.386 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.24 K 0.04 M 0.02 C Shift Assignments>> C :: 179.432 CA :: 59.347 CB :: 29.733 CG :: 36.926 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 :: 8.323 HA :: 3.980 HB2 :: 2.147 HB3 :: 2.020 HG2 :: 2.499 HG3 :: 2.248 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.857 Ave N Shift Values>> N :: 120.68(3.68) V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.814 CA :: 63.673 CB :: 31.750 CG1 :: 21.314 CG2 :: 21.583 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 :: 7.656 HA :: 4.089 HB :: 2.023 HG1 :: 0.937 HG2 :: 1.028 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 :: 114.501 Ave N Shift Values>> N :: 121.02(4.96) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.27 C 0.03 L 0.01 C Shift Assignments>> C :: 178.948 CA :: 53.295 CB :: 19.432 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.005 HA :: 3.484 HB :: 1.054 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.029 Ave N Shift Values>> N :: 123.23(3.7) A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 I 0.15 A 0.03 C 0.02 C Shift Assignments>> C :: 177.243 CA :: 57.044 CB :: 15.847 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.092 HA :: 4.096 HB :: 1.558 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.550 Ave N Shift Values>> N :: 123.23(3.7) P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.777 CA :: 65.532 CB :: 30.781 CG :: 27.928 CD :: 50.561 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 :: 4.420 HB2 :: 1.889 HB3 :: 2.345 HG2 :: 1.993 HG3 :: 2.071 HD2 :: 3.622 HD3 :: 3.622 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) D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.19 F 0.12 C 0.11 R 0.11 D 0.1 Y 0.09 I 0.01 N 0.01 C Shift Assignments>> C :: 178.875 CA :: 56.634 CB :: 41.805 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.968 HA :: 4.569 HB2 :: 2.826 HB3 :: 2.826 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.186 Ave N Shift Values>> N :: 120.73(4.2) V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> T26 C Shift Assignments>> C :: 179.011 CA :: 64.221 CB :: 31.020 CG1 :: 22.392 CG2 :: 20.774 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 :: 8.150 HA :: 4.210 HB :: 2.144 HG1 :: 0.952 HG2 :: 0.976 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 :: 112.505 Ave N Shift Values>> N :: 121.02(4.96) G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 177.641 CA :: 47.298 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.597 HA2 :: 3.928 HA3 :: 4.262 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.540 Ave N Shift Values>> N :: 109.91(4.29) R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.1 K 0.09 HN Overlap>> H75 C Shift Assignments>> CA :: 58.393 CB :: 30.211 CG :: 28.121 CD :: 43.591 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 :: 7.411 HA :: 4.256 HB2 :: 1.991 HB3 :: 2.052 HG2 :: 1.800 HG3 :: 1.991 HD2 :: 3.297 HD3 :: 3.347 HE :: 7.276 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 :: 120.603 NE :: 84.534 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.34 A 0.22 C Shift Assignments>> C :: 174.701 CA :: 55.142 CB :: 33.447 CG :: 32.368 CE :: 17.824 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 :: 7.437 HA :: 4.378 HB2 :: 2.171 HB3 :: 2.171 HG2 :: 2.509 HG3 :: 2.323 HE :: 2.002 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 :: 114.998 Ave N Shift Values>> N :: 120.1(3.88) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.210 CA :: 46.119 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.813 HA2 :: 3.832 HA3 :: 4.151 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.507 Ave N Shift Values>> N :: 109.91(4.29) I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.02 C Shift Assignments>> C :: 173.964 CA :: 58.296 CB :: 39.428 CG1 :: 26.850 CG2 :: 17.415 CD1 :: 12.148 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 :: 7.321 HA :: 4.682 HB :: 1.687 HG2 :: 0.626 HG12 :: 1.145 HG13 :: 1.323 HD1 :: 0.646 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.087 Ave N Shift Values>> N :: 121.6(4.72) E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.32 E 0.15 Q 0.02 C Shift Assignments>> C :: 175.584 CA :: 54.035 CB :: 32.905 CG :: 35.856 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 :: 9.033 HA :: 4.528 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.988 HG3 :: 2.155 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 :: 125.915 Ave N Shift Values>> N :: 120.68(3.68) I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.17 C Shift Assignments>> C :: 175.334 CA :: 61.390 CB :: 38.009 CG1 :: 27.515 CG2 :: 14.050 CD1 :: 17.684 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 :: 9.279 HA :: 4.257 HB :: 1.908 HG2 :: 0.726 HG12 :: 1.712 HG13 :: 0.683 HD1 :: 0.806 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.114 Ave N Shift Values>> N :: 121.6(4.72) L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.3 R 0.17 A 0.01 G 0.01 C Shift Assignments>> C :: 177.563 CA :: 56.322 CB :: 42.264 CG :: 27.515 CD1 :: 25.897 CD2 :: 22.855 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 :: 9.088 HA :: 4.314 HB2 :: 1.516 HB3 :: 1.571 HG :: 1.510 HD1 :: 0.792 HD2 :: 0.765 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.397 Ave N Shift Values>> N :: 121.98(4.07) S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.828 CA :: 57.452 CB :: 64.589 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.748 HA :: 4.528 HB2 :: 3.813 HB3 :: 3.813 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 :: 109.231 Ave N Shift Values>> N :: 116.3(3.95) F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.33 G 0.01 HN Overlap>> Y128 C Shift Assignments>> C :: 172.677 CA :: 58.252 CB :: 42.075 CD1 :: 131.321 CD2 :: 131.321 CE1 :: 129.973 CE2 :: 129.973 CZ :: 128.051 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 :: 8.802 HA :: 5.275 HB2 :: 2.866 HB3 :: 2.866 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 6.835 HE2 :: 6.835 HZ :: 6.803 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.059 Ave N Shift Values>> N :: 120.69(4.18) T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 172.155 CA :: 59.930 CB :: 71.733 CG2 :: 21.291 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 :: 8.177 HA :: 4.332 HB :: 3.809 HG2 :: 1.052 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 :: 121.027 Ave N Shift Values>> N :: 115.7(5.05) I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.21 A 0.01 C Shift Assignments>> C :: 174.735 CA :: 59.094 CB :: 36.031 CG1 :: 26.976 CG2 :: 17.684 CD1 :: 9.442 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 :: 8.613 HA :: 3.977 HB :: 1.876 HG2 :: 0.721 HG12 :: 1.227 HG13 :: 1.104 HD1 :: 0.169 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.091 Ave N Shift Values>> N :: 121.6(4.72) K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.41 R 0.12 M 0.02 C Shift Assignments>> C :: 174.996 CA :: 57.011 CB :: 33.759 CG :: 24.171 CD :: 28.863 CE :: 42.075 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 :: 9.023 HA :: 4.323 HB2 :: 1.630 HB3 :: 1.461 HG2 :: 1.257 HG3 :: 1.305 HD2 :: 1.473 HD3 :: 1.544 HE2 :: 2.897 HE3 :: 2.897 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 :: 130.552 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.21 C 0.11 R 0.08 D 0.03 F 0.01 HN Overlap>> V99 C Shift Assignments>> C :: 173.654 CA :: 53.866 CB :: 44.860 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 :: 7.785 HA :: 4.948 HB2 :: 2.447 HB3 :: 2.531 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 :: 117.111 Ave N Shift Values>> N :: 120.73(4.2) V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.290 CA :: 61.491 CB :: 35.064 CG1 :: 21.691 CG2 :: 21.314 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 :: 7.935 HA :: 4.726 HB :: 1.842 HG1 :: 0.690 HG2 :: 0.775 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 :: 119.716 Ave N Shift Values>> N :: 121.02(4.96) Y123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 173.421 CA :: 56.405 CB :: 40.668 CD1 :: 133.478 CD2 :: 133.478 CE1 :: 117.876 CE2 :: 117.876 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 :: 8.980 HA :: 5.152 HB2 :: 3.026 HB3 :: 3.217 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.682 HE2 :: 6.682 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 :: 123.552 Ave N Shift Values>> N :: 120.79(4.69) D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.18 R 0.16 C 0.12 G 0.09 K 0.05 N 0.02 F 0.02 Y 0.02 HN Overlap>> V61 L129 C Shift Assignments>> C :: 176.035 CA :: 52.767 CB :: 43.141 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 :: 8.477 HA :: 5.037 HB2 :: 2.725 HB3 :: 2.853 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.724 Ave N Shift Values>> N :: 120.73(4.2) K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.18 M 0.03 C Shift Assignments>> C :: 177.334 CA :: 57.504 CB :: 33.101 CG :: 24.994 CD :: 29.438 CE :: 42.028 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 :: 8.707 HA :: 4.395 HB2 :: 2.020 HB3 :: 1.799 HG2 :: 1.497 HG3 :: 1.497 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.000 HE3 :: 3.000 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 :: 121.394 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 0.78 C 0.21 HN Overlap>> S138 C Shift Assignments>> C :: 176.459 CA :: 62.821 CB :: 31.966 CG1 :: 21.314 CG2 :: 20.650 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 :: 8.425 HA :: 4.152 HB :: 2.257 HG1 :: 0.889 HG2 :: 0.973 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 :: 118.175 Ave N Shift Values>> N :: 121.02(4.96) D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.15 C 0.13 F 0.12 Y 0.11 N 0.1 K 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 177.050 CA :: 55.042 CB :: 40.508 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 :: 8.341 HA :: 4.534 HB2 :: 2.654 HB3 :: 2.830 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 :: 122.679 Ave N Shift Values>> N :: 120.73(4.2) Y128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 HN Overlap>> F117 C Shift Assignments>> C :: 177.661 CA :: 60.625 CB :: 38.565 CD1 :: 133.027 CD2 :: 133.027 CE1 :: 118.265 CE2 :: 118.265 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 :: 8.808 HA :: 4.216 HB2 :: 3.001 HB3 :: 3.001 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 6.724 HE2 :: 6.724 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.087 Ave N Shift Values>> N :: 120.79(4.69) L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.34 R 0.04 HN Overlap>> V61 D124 C Shift Assignments>> C :: 179.127 CA :: 56.847 CB :: 41.446 CG :: 26.887 CD1 :: 25.088 CD2 :: 23.102 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 :: 8.560 HA :: 3.987 HB2 :: 1.461 HB3 :: 1.732 HG :: 1.614 HD1 :: 0.816 HD2 :: 0.795 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 :: 120.658 Ave N Shift Values>> N :: 121.98(4.07) S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T135 C Shift Assignments>> C :: 175.871 CA :: 59.898 CB :: 63.095 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.084 HA :: 4.297 HB2 :: 3.939 HB3 :: 3.893 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.930 Ave N Shift Values>> N :: 116.3(3.95) S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.073 CA :: 59.546 CB :: 63.532 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.984 HA :: 4.368 HB2 :: 3.920 HB3 :: 3.878 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 :: 117.398 Ave N Shift Values>> N :: 116.3(3.95) L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 178.194 CA :: 55.886 CB :: 42.033 CG :: 26.706 CD1 :: 25.088 CD2 :: 23.201 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 :: 7.666 HA :: 4.208 HB2 :: 1.609 HB3 :: 1.520 HG :: 1.545 HD1 :: 0.815 HD2 :: 0.767 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 :: 122.737 Ave N Shift Values>> N :: 121.98(4.07) G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.451 CA :: 45.621 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.174 HA2 :: 3.933 HA3 :: 3.933 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.258 Ave N Shift Values>> N :: 109.91(4.29) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.02 G 0.01 HN Overlap>> L49 C Shift Assignments>> C :: 176.921 CA :: 56.282 CB :: 33.177 CG :: 24.819 CD :: 29.026 CE :: 42.192 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 :: 7.935 HA :: 4.410 HB2 :: 1.759 HB3 :: 1.872 HG2 :: 1.384 HG3 :: 1.429 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 2.999 HE3 :: 2.999 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.241 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> S130 C Shift Assignments>> C :: 174.571 CA :: 62.070 CB :: 69.846 CG2 :: 21.703 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 :: 8.143 HA :: 4.345 HB :: 4.218 HG2 :: 1.210 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 :: 114.930 Ave N Shift Values>> N :: 115.7(5.05) Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.21 E 0.13 M 0.1 R 0.03 HN Overlap>> V68 C Shift Assignments>> C :: 176.155 CA :: 55.955 CB :: 29.672 CG :: 33.986 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 :: 8.464 HA :: 4.458 HB2 :: 2.024 HB3 :: 2.155 HG2 :: 2.383 HG3 :: 2.383 HE21 :: 6.879 HE22 :: 7.520 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.940 NE2 :: 112.429 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T137 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 :: 174.608 CA :: 61.757 CB :: 69.823 CG2 :: 21.620 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 :: 8.268 HA :: 4.417 HB :: 4.277 HG2 :: 1.204 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 :: 115.374 Ave N Shift Values>> N :: 115.7(5.05) S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> Q55 V126 C Shift Assignments>> C :: 174.484 CA :: 58.312 CB :: 64.049 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.354 HA :: 4.542 HB2 :: 3.870 HB3 :: 3.870 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 :: 118.112 Ave N Shift Values>> N :: 116.3(3.95) G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.766 CA :: 44.653 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.280 HA2 :: 4.111 HA3 :: 4.168 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.760 Ave N Shift Values>> N :: 109.91(4.29) P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.430 CA :: 63.285 CB :: 32.368 CG :: 27.245 CD :: 49.845 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 :: 4.484 HB2 :: 2.320 HB3 :: 2.320 HG2 :: 2.028 HG3 :: 2.028 HD2 :: 3.633 HD3 :: 3.633 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) S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.744 CA :: 58.372 CB :: 63.930 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.533 HA :: 4.561 HB2 :: 3.892 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 :: 116.402 Ave N Shift Values>> N :: 116.3(3.95) S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.145 CA :: 58.599 CB :: 63.915 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.588 HA :: 4.517 HB2 :: 3.903 HB3 :: 3.903 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 :: 118.154 Ave N Shift Values>> N :: 116.3(3.95) G143 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 :: 174.399 CA :: 45.475 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.488 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.919 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 143 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 137 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 0 C Shift Results: #Consistent: 607 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 799 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 148 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0