Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.25 V 0.23 T 0.17 P 0.16 I 0.12 C 0.02 C Shift Assignments>> CA :: 64.9636(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.2986 CA :: 44.6132 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.99 HA3 :: 4.5571 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.3 G 0.27 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 174.7959 CA :: 55.5293 CB :: 32.2675 CG :: 27.2872 CD :: 44.424 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4652 HA :: 5.3271 HB2 :: 1.6449 HB3 :: 2.0461 HG2 :: 1.3937 HG3 :: 1.7819 HD2 :: 3.0519 HD3 :: 3.2492 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.9123 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 174.7982 CA :: 59.4673 CB :: 41.0763 CG1 :: 27.9209 CG2 :: 17.0822 CD1 :: 12.5657 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1684 HA :: 4.6624 HB :: 1.5264 HG12 :: 0.916 HG13 :: 1.2993 HG21 :: 0.5857 HG22 :: 0.5857 HG23 :: 0.5857 HD11 :: 0.1296 HD12 :: 0.1296 HD13 :: 0.1296 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.5396 Ave N Shift Values>> N :: 121.46(4.28) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 173.3745 CA :: 59.8692 CB :: 34.0969 CG1 :: 22.6155 CG2 :: 22.1812 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1183 HA :: 5.4081 HB :: 1.8376 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 0.9724 HG22 :: 0.9724 HG23 :: 0.9724 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.0467 Ave N Shift Values>> N :: 121.14(4.54) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.26 L 0.19 A 0.03 C Shift Assignments>> C :: 174.1042 CA :: 52.8107 CB :: 46.5758 CG :: 27.7636 CD1 :: 26.0379 CD2 :: 23.9823 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.1626 HA :: 5.1743 HB2 :: 1.0321 HB3 :: 1.6464 HG :: 1.2182 HD11 :: 0.2495 HD12 :: 0.2495 HD13 :: 0.2495 HD21 :: 0.7387 HD22 :: 0.7387 HD23 :: 0.7387 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.3097 Ave N Shift Values>> N :: 121.86(3.9) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 174.7661 CA :: 60.8781 CB :: 31.764 CG1 :: 20.2338 CG2 :: 21.0316 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0411 HA :: 5.0685 HB :: 1.9188 HG11 :: -0.013 HG12 :: -0.013 HG13 :: -0.013 HG21 :: 0.6455 HG22 :: 0.6455 HG23 :: 0.6455 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.1782 Ave N Shift Values>> N :: 121.14(4.54) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5706 CA :: 57.2719 CB :: 64.088 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8906 HA :: 4.7765 HB2 :: 3.3807 HB3 :: 3.8713 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.9078 Ave N Shift Values>> N :: 116.28(3.52) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 M 0.17 I 0.01 C Shift Assignments>> C :: 176.4189 CA :: 56.1751 CB :: 31.4415 CG :: 36.9878 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.269 HA :: 4.8986 HB2 :: 2.1022 HB3 :: 2.3746 HG2 :: 2.4365 HG3 :: 2.4365 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.176 Ave N Shift Values>> N :: 120.67(3.48) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.07 Y 0.05 C 0.04 R 0.03 HN Overlap>> 1.R3 1.R3 C Shift Assignments>> C :: 177.4186 CA :: 53.7415 CB :: 41.5482 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4341 HA :: 4.7422 HB2 :: 2.6595 HB3 :: 2.8589 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.8187 Ave N Shift Values>> N :: 120.65(3.86) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.3 I 0.17 K 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.2422 CA :: 60.4183 CB :: 30.2316 CG :: 36.362 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0591 HA :: 4.1553 HB2 :: 2.2456 HB3 :: 2.2456 HG2 :: 2.3499 HG3 :: 2.4813 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.5687 Ave N Shift Values>> N :: 120.67(3.48) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.06 C 0.03 HN Overlap>> 1.F53 1.F53 C Shift Assignments>> C :: 180.9101 CA :: 55.7156 CB :: 18.1848 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5345 HA :: 4.1044 HB1 :: 1.4965 HB2 :: 1.4965 HB3 :: 1.4965 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8287 Ave N Shift Values>> N :: 123.23(3.54) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.6738 CA :: 65.8027 CB :: 68.0698 CG2 :: 22.066 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0501 HA :: 3.7141 HB :: 3.7031 HG21 :: 1.0386 HG22 :: 1.0386 HG23 :: 1.0386 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.8366 Ave N Shift Values>> N :: 115.42(4.75) 1.S14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.765 CA :: 62.8099 CB :: 61.1724 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5732 HA :: 3.3697 HB2 :: 1.172(A) HB3 :: 2.693(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.1395 Ave N Shift Values>> N :: 116.28(3.52) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.3725 CA :: 67.3979 CB :: 68.2862 CG2 :: 21.5384 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9167 HA :: 3.4744 HB :: 4.1382 HG21 :: 1.2333 HG22 :: 1.2333 HG23 :: 1.2333 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.3646 Ave N Shift Values>> N :: 115.42(4.75) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.48 R 0.02 C Shift Assignments>> C :: 178.3151 CA :: 58.2246 CB :: 41.4358 CG :: 26.8791 CD1 :: 23.2288 CD2 :: 25.5916 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.8984 HA :: 4.1058 HB2 :: 1.5593 HB3 :: 1.7818 HG :: 1.3505 HD11 :: 0.8642 HD12 :: 0.8642 HD13 :: 0.8642 HD21 :: 0.7581 HD22 :: 0.7581 HD23 :: 0.7581 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.807 Ave N Shift Values>> N :: 121.86(3.9) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 178.0056 CA :: 66.3912 CB :: 37.4356 CG1 :: 28.728 CG2 :: 17.6699 CD1 :: 14.8015 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9055 HA :: 3.1028 HB :: 1.597 HG12 :: 0.1676 HG13 :: 1.3912 HG21 :: 0.7264 HG22 :: 0.7264 HG23 :: 0.7264 HD11 :: 0.4035 HD12 :: 0.4035 HD13 :: 0.4035 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.1557 Ave N Shift Values>> N :: 121.46(4.28) 1.C18 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 HN Overlap>> 1.S81 1.S81 C Shift Assignments>> C :: 177.7369 CA :: 45.1001(S) CB :: 46.4169 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4371 HA :: 3.8974 HB2 :: 2.3464 HB3 :: 3.1489 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.3748 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (CA > CB : 1.0000) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.6251 CA :: 61.8122 CB :: 62.8858 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.912 HA :: 4.4194 HB2 :: 4.0647 HB3 :: 4.0647 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8775 Ave N Shift Values>> N :: 116.28(3.52) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.7134 CA :: 65.4103 CB :: 39.286 CG1 :: 28.794 CG2 :: 17.9758 CD1 :: 14.8021 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4031 HA :: 3.7234 HB :: 1.7598 HG12 :: 1.1009 HG13 :: 1.8665 HG21 :: 1.0912 HG22 :: 1.0912 HG23 :: 1.0912 HD11 :: 0.7018 HD12 :: 0.7018 HD13 :: 0.7018 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.3372 Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.27 R 0.09 A 0.02 C Shift Assignments>> C :: 178.5133 CA :: 57.6235 CB :: 41.5712 CG :: 27.0629 CD1 :: 21.9309 CD2 :: 26.3927 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3026 HA :: 4.2425 HB2 :: 1.1955 HB3 :: 1.9269 HG :: 1.932 HD11 :: 0.5766 HD12 :: 0.5766 HD13 :: 0.5766 HD21 :: 0.7061 HD22 :: 0.7061 HD23 :: 0.7061 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.4776 Ave N Shift Values>> N :: 121.86(3.9) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.5939 CA :: 66.9153 CB :: 68.3804 CG2 :: 20.9016 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0333 HA :: 4.6979 HB :: 4.2799 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.116 Ave N Shift Values>> N :: 115.42(4.75) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.N84 1.Q104 1.N84 1.Q104 2.L25 2.L25 C Shift Assignments>> C :: 175.3073 CA :: 66.4652 CB :: 68.7193 CG2 :: 21.8451 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8961 HA :: 4.0252 HB :: 4.3525 HG21 :: 1.3131 HG22 :: 1.3131 HG23 :: 1.3131 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.7212 Ave N Shift Values>> N :: 115.42(4.75) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.04 C 0.02 L 0.02 C Shift Assignments>> C :: 176.9318 CA :: 52.3792 CB :: 19.9979 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2115 HA :: 4.4111 HB1 :: 1.6929 HB2 :: 1.6929 HB3 :: 1.6929 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7123 Ave N Shift Values>> N :: 123.23(3.54) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.3842 CA :: 45.4158 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7644 HA2 :: 3.5421 HA3 :: 4.1439 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.5966 Ave N Shift Values>> N :: 109.67(3.87) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.13 D 0.03 L 0.02 E 0.02 N 0.01 HN Overlap>> 2.S21 2.S21 C Shift Assignments>> C :: 174.686 CA :: 58.0745 CB :: 38.8032 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7873 HA :: 4.6358 HB2 :: 2.4064 HB3 :: 2.9086 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.7968 Ave N Shift Values>> N :: 120.52(4.2) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.15 Q 0.14 C 0.13 W 0.12 M 0.09 E 0.08 K 0.07 C Shift Assignments>> C :: 174.4974 CA :: 53.8246 CB :: 30.0616 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4196 HA :: 4.9918 HB2 :: 1.9855 HB3 :: 2.2279 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.2708 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 176.3475 CA :: 61.4589 CB :: 33.2744 CG1 :: 22.7414 CG2 :: 24.0898 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.9678 HA :: 5.0822 HB :: 2.0053 HG11 :: 0.9892 HG12 :: 0.9892 HG13 :: 0.9892 HG21 :: 0.9271 HG22 :: 0.9271 HG23 :: 0.9271 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.1297 Ave N Shift Values>> N :: 121.14(4.54) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.4 C Shift Assignments>> C :: 173.1221 CA :: 60.3627 CB :: 39.6136 CG1 :: 29.0246 CG2 :: 19.7725 CD1 :: 14.8801 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.739 HA :: 5.1332 HB :: 1.9036 HG12 :: 1.325 HG13 :: 1.5491 HG21 :: 0.8829 HG22 :: 0.8829 HG23 :: 0.8829 HD11 :: 0.8936 HD12 :: 0.8936 HD13 :: 0.8936 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.8637 Ave N Shift Values>> N :: 121.46(4.28) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 H 0.17 C 0.15 R 0.15 W 0.1 Q 0.08 K 0.08 E 0.06 C Shift Assignments>> C :: 173.5419 CA :: 53.1878 CB :: 31.1445 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 10.0632 HA :: 5.9124 HB2 :: 2.7249 HB3 :: 3.1905 HE1 :: 10.3548 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 131.9854 NE1 :: 130.5007 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.19 R 0.16 G 0.13 A 0.02 C Shift Assignments>> C :: 175.29 CA :: 53.3369 CB :: 43.4925 CG :: 27.6887 CD1 :: 23.89 CD2 :: 26.0324 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.8456 HA :: 4.7975 HB2 :: 1.7244 HB3 :: 2.0011 HG :: 1.7519 HD11 :: 0.8088 HD12 :: 0.8088 HD13 :: 0.8088 HD21 :: 0.8497 HD22 :: 0.8497 HD23 :: 0.8497 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.8612 Ave N Shift Values>> N :: 121.86(3.9) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 174.3535 CA :: 60.6103 CB :: 31.7468 CG1 :: 19.8537 CG2 :: 21.8128 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.6237 HA :: 4.5209 HB :: 2.3613 HG11 :: 0.7685 HG12 :: 0.7685 HG13 :: 0.7685 HG21 :: 0.7227 HG22 :: 0.7227 HG23 :: 0.7227 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.9287 Ave N Shift Values>> N :: 121.14(4.54) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.22 R 0.07 D 0.05 C 0.03 F 0.01 C Shift Assignments>> C :: 175.3512 CA :: 52.7699 CB :: 44.4993 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.3045 HA :: 4.7442 HB2 :: 2.583 HB3 :: 2.583 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.6095 Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.7726 CA :: 45.8984 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5006 HA2 :: 3.3948 HA3 :: 3.9732 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1943 Ave N Shift Values>> N :: 109.67(3.87) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.4 M 0.06 I 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.4345 CA :: 56.2679 CB :: 30.1139 CG :: 37.1144 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.2623 HA :: 4.3016 HB2 :: 1.877 HB3 :: 2.0559 HG2 :: 2.1226 HG3 :: 2.2521 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.1206 Ave N Shift Values>> N :: 120.67(3.48) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.7145 CA :: 66.9316 CB :: 31.9158 CG1 :: 20.8967 CG2 :: 22.9165 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4617 HA :: 3.4911 HB :: 2.0446 HG11 :: 0.8689 HG12 :: 0.8689 HG13 :: 0.8689 HG21 :: 0.9876 HG22 :: 0.9876 HG23 :: 0.9876 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.706 Ave N Shift Values>> N :: 121.14(4.54) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.29 I 0.25 K 0.06 Q 0.02 C Shift Assignments>> C :: 179.6625 CA :: 59.7686 CB :: 28.8781 CG :: 36.3487 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.9532 HA :: 3.9319 HB2 :: 1.972 HB3 :: 2.0051 HG2 :: 2.2327 HG3 :: 2.2998 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1602 Ave N Shift Values>> N :: 120.67(3.48) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.36 K 0.07 G 0.07 C Shift Assignments>> C :: 176.5344 CA :: 59.1321 CB :: 30.0548 CG :: 28.4309 CD :: 43.3687 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.4653 HA :: 3.8653 HB2 :: 1.657 HB3 :: 1.8379 HG2 :: 1.4144 HG3 :: 1.53 HD2 :: 3.0166 HD3 :: 3.2138 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.9846 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.31 L 0.12 G 0.04 C Shift Assignments>> C :: 178.9448 CA :: 59.6533 CB :: 42.8204 CG :: 28.4071 CD1 :: 26.4429 CD2 :: 25.4849 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.2353 HA :: 3.7337 HB2 :: 1.4672 HB3 :: 1.8368 HG :: 1.6937 HD11 :: 0.7834 HD12 :: 0.7834 HD13 :: 0.7834 HD21 :: 0.7586 HD22 :: 0.7586 HD23 :: 0.7586 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.1839 Ave N Shift Values>> N :: 121.86(3.9) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.45 R 0.03 A 0.01 C Shift Assignments>> C :: 180.917 CA :: 56.97 CB :: 41.2426 CG :: 26.7734 CD1 :: 22.9552 CD2 :: 26.5005 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1351 HA :: 3.9295 HB2 :: 1.428 HB3 :: 1.7638 HG :: 1.7121 HD11 :: 0.7731 HD12 :: 0.7731 HD13 :: 0.7731 HD21 :: 0.7927 HD22 :: 0.7927 HD23 :: 0.7927 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.0218 Ave N Shift Values>> N :: 121.86(3.9) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.43 C 0.01 I 0.01 HN Overlap>> 2.L42 2.L42 C Shift Assignments>> C :: 178.6544 CA :: 54.1629 CB :: 17.9132 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7103 HA :: 4.1511 HB1 :: 1.4788 HB2 :: 1.4788 HB3 :: 1.4788 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4422 Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.22 R 0.16 G 0.06 A 0.06 C Shift Assignments>> C :: 175.8054 CA :: 54.5221 CB :: 43.1215 CG :: 26.8934 CD1 :: 26.8419 CD2 :: 22.8039 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1228 HA :: 4.0998 HB2 :: 1.3833 HB3 :: 1.9873 HG :: 1.8344 HD11 :: 0.8953 HD12 :: 0.8953 HD13 :: 0.8953 HD21 :: 0.7499 HD22 :: 0.7499 HD23 :: 0.7499 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.6915 Ave N Shift Values>> N :: 121.86(3.9) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.3969 CA :: 60.7817 CB :: 69.724 CG2 :: 21.1721 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6403 HA :: 3.8852 HB :: 4.4236 HG21 :: 1.2148 HG22 :: 1.2148 HG23 :: 1.2148 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.8104 Ave N Shift Values>> N :: 115.42(4.75) 1.P44 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 :: 175.653 CA :: 62.4786 CB :: 32.8574 CG :: 26.323 CD :: 50.0621 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5573 HB2 :: 1.7502 HB3 :: 2.2132 HG2 :: 1.6028 HG3 :: 1.6989 HD2 :: 3.453 HD3 :: 3.5692 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I45 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 :: 176.7842 CA :: 62.027 CB :: 38.6249 CG1 :: 26.4215 CG2 :: 18.5159 CD1 :: 14.853 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.8002 HA :: 4.669 HB :: 2.1333 HG12 :: 1.3697 HG13 :: 1.3697 HG21 :: 1.1777 HG22 :: 1.1777 HG23 :: 1.1777 HD11 :: 1.0345 HD12 :: 1.0345 HD13 :: 1.0345 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 111.2991 Ave N Shift Values>> N :: 121.46(4.28) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.33 C 0.14 K 0.01 C Shift Assignments>> C :: 174.8843 CA :: 50.4881 CB :: 22.6182 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3044 HA :: 5.3824 HB1 :: 1.029 HB2 :: 1.029 HB3 :: 1.029 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.3521 Ave N Shift Values>> N :: 123.23(3.54) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 172.7806 CA :: 59.5054 CB :: 35.2887 CG1 :: 22.9255 CG2 :: 21.5765 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5881 HA :: 5.034 HB :: 1.7473 HG11 :: 0.8525 HG12 :: 0.8525 HG13 :: 0.8525 HG21 :: 0.8178 HG22 :: 0.8178 HG23 :: 0.8178 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3331 Ave N Shift Values>> N :: 121.14(4.54) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.3 C 0.23 G 0.12 C Shift Assignments>> C :: 174.3585 CA :: 53.2101 CB :: 43.2931 CG :: 28.2886 CD1 :: 25.7883 CD2 :: 26.2652 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3615 HA :: 5.1035 HB2 :: 1.3866 HB3 :: 1.7772 HG :: 1.5972 HD11 :: 0.7104 HD12 :: 0.7104 HD13 :: 0.7104 HD21 :: 0.8397 HD22 :: 0.8397 HD23 :: 0.8397 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.0574 Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 R 0.04 C Shift Assignments>> C :: 175.0524 CA :: 53.831 CB :: 41.8795 CG :: 26.3452 CD1 :: 24.5444 CD2 :: 26.3537 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8196 HA :: 4.8902 HB2 :: 1.5791 HB3 :: 2.0058 HG :: 1.5224 HD11 :: 0.7114 HD12 :: 0.7114 HD13 :: 0.7114 HD21 :: 0.5786 HD22 :: 0.5786 HD23 :: 0.5786 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.4391 Ave N Shift Values>> N :: 121.86(3.9) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.12 C 0.07 C Shift Assignments>> C :: 177.3683 CA :: 50.7032 CB :: 21.6832 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3214 HA :: 5.348 HB1 :: 1.4677 HB2 :: 1.4677 HB3 :: 1.4677 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7106 Ave N Shift Values>> N :: 123.23(3.54) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.11 Q 0.07 K 0.06 I 0.01 C Shift Assignments>> C :: 174.7272 CA :: 56.0906 CB :: 30.2859 CG :: 36.1568 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9969 HA :: 3.7998 HB2 :: 2.0132 HB3 :: 2.0132 HG2 :: 2.3309 HG3 :: 2.3309 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0855 Ave N Shift Values>> N :: 120.67(3.48) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 176.5798 CA :: 61.5008 CB :: 34.7861 CG :: 24.6396 CD :: 50.8077 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3313 HB2 :: 2.0476 HB3 :: 2.3548 HG2 :: 1.9379 HG3 :: 1.9789 HD2 :: 3.5099 HD3 :: 3.7489 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.16 Y 0.13 F 0.09 M 0.08 D 0.02 I 0.02 K 0.02 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 176.4724 CA :: 55.39 CB :: 36.9837 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.5755 HA :: 4.6341 HB2 :: 2.9499 HB3 :: 3.1722 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.7342 Ave N Shift Values>> N :: 120.45(4.18) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7622 CA :: 58.8384 CB :: 63.4311 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4215 HA :: 4.3574 HB2 :: 3.7046 HB3 :: 4.0312 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2015 Ave N Shift Values>> N :: 116.28(3.52) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.18 Y 0.17 E 0.14 F 0.13 M 0.05 D 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 175.2127 CA :: 55.5666 CB :: 37.5419 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.1333 HA :: 4.7685 HB2 :: 2.9226 HB3 :: 3.2028 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.9786 Ave N Shift Values>> N :: 120.52(4.2) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.8547 CA :: 44.5887 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3745 HA2 :: 3.7626 HA3 :: 4.2461 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0834 Ave N Shift Values>> N :: 109.67(3.87) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.24 K 0.13 R 0.12 F 0.05 C 0.04 Y 0.03 N 0.03 HN Overlap>> 1.Q59 1.Q59 C Shift Assignments>> C :: 177.3962 CA :: 53.9995 CB :: 42.3325 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0879 HA :: 4.5988 HB2 :: 2.587 HB3 :: 2.7646 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5702 Ave N Shift Values>> N :: 120.65(3.86) 1.V58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.86 C 0.12 C Shift Assignments>> C :: 176.2765 CA :: 66.1066 CB :: 31.6944 CG1 :: 19.9974 CG2 :: 22.5866 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.179 HA :: 3.3174 HB :: 1.1825 HG11 :: -0.0919(S) HG12 :: -0.0919(S) HG13 :: -0.0919(S) HG21 :: 0.2315 HG22 :: 0.2315 HG23 :: 0.2315 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.8415 Ave N Shift Values>> N :: 121.14(4.54) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.23 E 0.14 M 0.02 R 0.02 I 0.02 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 177.8576 CA :: 58.0162 CB :: 29.1526 CG :: 34.3559 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0869 HA :: 3.8205 HB2 :: 2.1751 HB3 :: 2.2889 HG2 :: 2.4361 HG3 :: 2.4361 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.5436 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.14 K 0.06 Q 0.03 M 0.02 HN Overlap>> 1.I17 1.I17 C Shift Assignments>> C :: 178.6681 CA :: 59.2771 CB :: 29.6476 CG :: 36.3171 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9149 HA :: 4.0991 HB2 :: 2.0883 HB3 :: 2.0883 HG2 :: 2.2734 HG3 :: 2.3829 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1235 Ave N Shift Values>> N :: 120.67(3.48) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.44 R 0.06 C Shift Assignments>> C :: 178.6133 CA :: 58.5384 CB :: 41.9048 CG :: 27.4542 CD1 :: 25.4707 CD2 :: 24.4244 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4855 HA :: 4.0376 HB2 :: 1.6554 HB3 :: 1.6993 HG :: 1.5618 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.836 HD22 :: 0.836 HD23 :: 0.836 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.6223 Ave N Shift Values>> N :: 121.86(3.9) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.6421 CA :: 67.6647 CB :: 31.4833 CG1 :: 21.6864 CG2 :: 23.5533 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3158 HA :: 3.2472 HB :: 2.0647 HG11 :: 0.9142 HG12 :: 0.9142 HG13 :: 0.9142 HG21 :: 0.7062 HG22 :: 0.7062 HG23 :: 0.7062 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.0215 Ave N Shift Values>> N :: 121.14(4.54) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.12 L 0.09 D 0.09 I 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 179.9491 CA :: 57.6686 CB :: 40.1193 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.7615 HA :: 4.2765 HB2 :: 2.5886 HB3 :: 2.915 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.4032 Ave N Shift Values>> N :: 120.65(3.86) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.2 K 0.2 E 0.16 I 0.04 M 0.02 R 0.01 C Shift Assignments>> C :: 179.826 CA :: 59.2674 CB :: 29.2615 CG :: 34.5742 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0818 HA :: 3.9613 HB2 :: 2.0546 HB3 :: 2.3176 HG2 :: 2.4594 HG3 :: 2.7083 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.4354 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.44 R 0.03 C Shift Assignments>> C :: 179.7332 CA :: 58.3822 CB :: 41.971 CG :: 26.346 CD1 :: 23.6331 CD2 :: 25.6184 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2467 HA :: 3.9686 HB2 :: 1.096 HB3 :: 2.1346 HG :: 1.9628 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 HD21 :: 0.719 HD22 :: 0.719 HD23 :: 0.719 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.86 Ave N Shift Values>> N :: 121.86(3.9) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.38 K 0.12 G 0.02 L 0.01 HN Overlap>> 2.E35 2.E35 C Shift Assignments>> C :: 177.9861 CA :: 56.3767 CB :: 29.4221 CG :: 28.0641 CD :: 42.7614 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8249 HA :: 4.5653 HB2 :: 1.7852 HB3 :: 2.1337 HG2 :: 1.5591 HG3 :: 1.8197 HD2 :: 3.271 HD3 :: 3.3824 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.7378 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.25 E 0.11 R 0.03 M 0.02 I 0.01 HN Overlap>> 2.E95 2.E95 C Shift Assignments>> C :: 177.1588 CA :: 57.753 CB :: 28.8742 CG :: 34.1981 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.6595 HA :: 4.1433 HB2 :: 2.1563 HB3 :: 2.1563 HG2 :: 2.4621 HG3 :: 2.5923 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.905 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.36 K 0.21 G 0.02 C Shift Assignments>> C :: 176.6319 CA :: 56.4359 CB :: 32.9071 CG :: 27.3904 CD :: 42.8726 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.221 HA :: 4.4749 HB2 :: 1.8157 HB3 :: 2.0776 HG2 :: 1.7129 HG3 :: 1.7129 HD2 :: 3.1449 HD3 :: 3.1449 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.3718 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.16 M 0.15 R 0.12 H 0.11 W 0.09 E 0.08 Q 0.05 V 0.02 C Shift Assignments>> C :: 174.5227 CA :: 57.1064 CB :: 32.1314 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.311 HA :: 5.0105 HB2 :: 2.503 HB3 :: 2.7702 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.17(4.64) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.18 S 0.01 C Shift Assignments>> C :: 174.9657 CA :: 60.5625 CB :: 68.105 CG2 :: 21.8013 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5411 HA :: 4.8299 HB :: 4.7699 HG21 :: 1.3524 HG22 :: 1.3524 HG23 :: 1.3524 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.568 Ave N Shift Values>> N :: 115.42(4.75) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.3003 CA :: 64.9939 CB :: 31.3976 CG :: 28.395 CD :: 51.0097 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4961 HB2 :: 1.8606 HB3 :: 2.6808 HG2 :: 1.8797 HG3 :: 2.2125 HD2 :: 3.8979 HD3 :: 3.8979 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 I 0.18 K 0.03 M 0.01 C Shift Assignments>> C :: 177.1898 CA :: 58.6373 CB :: 29.4515 CG :: 37.084 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8751 HA :: 4.0473 HB2 :: 1.9492 HB3 :: 1.9855 HG2 :: 2.2425 HG3 :: 2.3424 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.125 Ave N Shift Values>> N :: 120.67(3.48) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 M 0.22 E 0.14 K 0.09 C Shift Assignments>> C :: 175.6059 CA :: 56.6604 CB :: 30.7847 CG :: 34.327 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.505 HA :: 4.2526 HB2 :: 2.0561 HB3 :: 2.1642 HG2 :: 2.4066 HG3 :: 2.4066 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.878 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.25 L 0.19 HN Overlap>> 1.L109 2.E96 1.L109 2.E96 C Shift Assignments>> C :: 174.7713 CA :: 54.7255 CB :: 45.743 CG :: 27.116 CD1 :: 24.2802 CD2 :: 26.7247 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7859 HA :: 4.4625 HB2 :: 1.3189 HB3 :: 1.3933 HG :: 1.1875 HD11 :: 0.6631 HD12 :: 0.6631 HD13 :: 0.6631 HD21 :: 0.6488 HD22 :: 0.6488 HD23 :: 0.6488 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.3369 Ave N Shift Values>> N :: 121.86(3.9) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.31 R 0.18 G 0.03 C Shift Assignments>> C :: 175.7219 CA :: 53.3376 CB :: 33.9356 CG :: 24.7259 CD :: 28.0298 CE :: 42.5956 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7574 HA :: 4.9306 HB2 :: 1.2731 HB3 :: 1.5603 HG2 :: 1.5566 HG3 :: 1.5566 HD2 :: 1.515 HD3 :: 1.773 HE2 :: 2.9871 HE3 :: 3.0835 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.8861 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.7846 CA :: 60.8527 CB :: 40.4395 CG1 :: 27.8392 CG2 :: 17.5215 CD1 :: 15.2479 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 10.094 HA :: 4.6182 HB :: 1.6427 HG12 :: 0.5847 HG13 :: 1.4914 HG21 :: 0.6819 HG22 :: 0.6819 HG23 :: 0.6819 HD11 :: 0.7626 HD12 :: 0.7626 HD13 :: 0.7626 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.9776 Ave N Shift Values>> N :: 121.46(4.28) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.15 K 0.08 F 0.05 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.042 CA :: 52.8969 CB :: 41.3709 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1334 HA :: 5.6964 HB2 :: 2.7006 HB3 :: 3.0109 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.6465 Ave N Shift Values>> N :: 120.45(4.18) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 174.8408 CA :: 58.4941 CB :: 38.8441 CG1 :: 28.6194 CG2 :: 16.9904 CD1 :: 12.7524 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1533 HA :: 5.0399 HB :: 1.7418 HG12 :: 1.277 HG13 :: 1.3419 HG21 :: 1.1943 HG22 :: 1.1943 HG23 :: 1.1943 HD11 :: 0.6465 HD12 :: 0.6465 HD13 :: 0.6465 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.1851 Ave N Shift Values>> N :: 121.46(4.28) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.26 C 0.21 R 0.11 C Shift Assignments>> C :: 174.8886 CA :: 52.9108 CB :: 41.8448 CG :: 28.1604 CD1 :: 26.2534 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7614 HA :: 5.5556 HB2 :: 1.5765 HB3 :: 1.5765 HG :: 1.5964 HD11 :: 0.8374 HD12 :: 0.8374 HD13 :: 0.8374 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.9569 Ave N Shift Values>> N :: 121.86(3.9) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.7276 CA :: 44.9694 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5518 HA2 :: 3.7375 HA3 :: 4.4482 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1927 Ave N Shift Values>> N :: 109.67(3.87) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C18 1.C18 C Shift Assignments>> C :: 174.0967 CA :: 58.795 CB :: 64.3645 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4579 HA :: 4.414 HB2 :: 3.9198 HB3 :: 3.9198 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.396 Ave N Shift Values>> N :: 116.28(3.52) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.13 C Shift Assignments>> C :: 176.4002 CA :: 57.11 CB :: 32.3151 CG :: 24.6758 CD :: 28.9926 CE :: 41.9615 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1131 HA :: 3.5856 HB2 :: 1.569 HB3 :: 1.6644 HG2 :: 1.1642 HG3 :: 1.1642 HD2 :: 1.5507 HD3 :: 1.5507 HE2 :: 2.9521 HE3 :: 2.9521 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.7589 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.26 R 0.16 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.2168 CA :: 44.3693 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.5339 HA2 :: 3.3974 HA3 :: 4.0852 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.105 Ave N Shift Values>> N :: 109.67(3.87) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.13 C 0.09 Y 0.04 F 0.04 L 0.03 HN Overlap>> 1.T23 2.L25 1.T23 2.L25 C Shift Assignments>> C :: 174.5591 CA :: 52.2613 CB :: 38.5471 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.8304 HA :: 4.8156 HB2 :: 2.4671 HB3 :: 2.6771 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.6805 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.16 I 0.09 D 0.06 L 0.04 N 0.03 E 0.01 C Shift Assignments>> C :: 176.3103 CA :: 57.5068 CB :: 39.0177 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.1829 HA :: 4.6336 HB2 :: 2.674 HB3 :: 2.9023 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.5421 Ave N Shift Values>> N :: 120.52(4.2) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.23 M 0.08 E 0.07 R 0.02 C Shift Assignments>> C :: 177.2514 CA :: 55.8838 CB :: 29.5848 CG :: 33.7906 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.1975 HA :: 4.4904 HB2 :: 2.0428 HB3 :: 2.1087 HG2 :: 2.3994 HG3 :: 2.3994 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.4795 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 173.6749 CA :: 45.6339 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7298 HA2 :: 3.7536 HA3 :: 4.0801 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9085 Ave N Shift Values>> N :: 109.67(3.87) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.5489 CA :: 61.9908 CB :: 33.1885 CG1 :: 22.0669 CG2 :: 22.2049 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.0214 HA :: 3.7902 HB :: 1.9084 HG11 :: 0.4531 HG12 :: 0.4531 HG13 :: 0.4531 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.9458 Ave N Shift Values>> N :: 121.14(4.54) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.21 G 0.13 F 0.09 C 0.08 Y 0.05 D 0.02 K 0.02 C Shift Assignments>> C :: 176.3724 CA :: 57.8859 CB :: 43.8454 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.8749 HA :: 4.657 HB2 :: 2.3741 HB3 :: 2.7075 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.2484 Ave N Shift Values>> N :: 120.65(3.86) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.2 R 0.14 G 0.08 C Shift Assignments>> C :: 172.9991 CA :: 55.2974 CB :: 35.1813 CG :: 27.8085 CD :: 43.0977 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.2374 HA :: 4.5445 HB2 :: 1.4137 HB3 :: 1.4261 HG2 :: 1.3912 HG3 :: 1.4432 HD2 :: 2.8667 HD3 :: 3.0436 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.7084 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 D 0.13 C 0.12 L 0.1 I 0.05 N 0.04 K 0.01 C Shift Assignments>> C :: 175.5437 CA :: 56.9676 CB :: 39.9336 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.5662 HA :: 5.322 HB2 :: 2.8515 HB3 :: 2.91 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.2131 Ave N Shift Values>> N :: 120.52(4.2) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 A 0.01 C Shift Assignments>> C :: 172.7147 CA :: 57.9709 CB :: 40.6911 CG1 :: 27.4601 CG2 :: 16.7469 CD1 :: 13.707 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.4115 HA :: 4.6223 HB :: 1.874 HG12 :: 0.9554 HG13 :: 1.3612 HG21 :: 1.0513 HG22 :: 1.0513 HG23 :: 1.0513 HD11 :: 0.4606 HD12 :: 0.4606 HD13 :: 0.4606 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.5821 Ave N Shift Values>> N :: 121.46(4.28) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.3453 CA :: 62.9973 CB :: 32.6118 CG :: 27.062 CD :: 51.1257 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5871 HB2 :: 1.8834 HB3 :: 2.2992 HG2 :: 2.0335 HG3 :: 2.0335 HD2 :: 3.8063 HD3 :: 3.8063 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.13 G 0.1 R 0.07 A 0.04 C Shift Assignments>> C :: 176.5288 CA :: 52.0415 CB :: 43.1263 CG :: 27.2194 CD1 :: 25.9629 CD2 :: 23.5203 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4004 HA :: 4.3016 HB2 :: 1.3517 HB3 :: 1.4986 HG :: 1.5029 HD11 :: 0.8884 HD12 :: 0.8884 HD13 :: 0.8884 HD21 :: 0.8324 HD22 :: 0.8324 HD23 :: 0.8324 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.7527 Ave N Shift Values>> N :: 121.86(3.9) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 175.9111 CA :: 61.7238 CB :: 35.0035 CG :: 24.6525 CD :: 50.7187 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4061 HB2 :: 1.9386 HB3 :: 2.3679 HG2 :: 1.7163 HG3 :: 1.878 HD2 :: 3.4454 HD3 :: 3.573 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.3721 CA :: 60.2153 CB :: 37.7667 CG1 :: 26.8899 CG2 :: 17.6052 CD1 :: 12.0855 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2189 HA :: 4.048 HB :: 1.6591 HG12 :: 1.0571 HG13 :: 1.0571 HG21 :: 0.4158 HG22 :: 0.4158 HG23 :: 0.4158 HD11 :: 0.2138 HD12 :: 0.2138 HD13 :: 0.2138 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.6678 Ave N Shift Values>> N :: 121.46(4.28) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 H 0.16 C 0.16 R 0.15 W 0.09 Q 0.08 K 0.07 E 0.05 P 0.01 C Shift Assignments>> C :: 174.4246 CA :: 52.9895 CB :: 31.1909 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.7458 HA :: 5.1184 HB2 :: 3.1215 HB3 :: 3.2861 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.2321 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.2489 CA :: 66.8837 CB :: 32.5798 CG :: 27.682 CD :: 50.8863 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9614 HB2 :: 2.08 HB3 :: 2.226 HG2 :: 1.7703 HG3 :: 2.2212 HD2 :: 3.6466 HD3 :: 3.895 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 I 0.26 K 0.03 C Shift Assignments>> C :: 178.3882 CA :: 59.7363 CB :: 29.2957 CG :: 36.8323 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.151 HA :: 4.1669 HB2 :: 2.0691 HG2 :: 2.3439 HG3 :: 2.3439 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.3391 Ave N Shift Values>> N :: 120.67(3.48) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5029 CA :: 59.6343 CB :: 63.707 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7905 HA :: 4.6021 HB2 :: 3.9277 HB3 :: 4.1048 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.6129 Ave N Shift Values>> N :: 116.28(3.52) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 F 0.18 Y 0.17 C 0.15 C Shift Assignments>> C :: 176.2545 CA :: 61.9236 CB :: 39.6867 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.4821 HA :: 4.2744 HB2 :: 2.9177 HB3 :: 3.4072 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.9384 Ave N Shift Values>> N :: 120.45(4.18) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> C :: 179.4854 CA :: 57.9058 CB :: 41.4043 CG :: 26.9959 CD1 :: 25.3363 CD2 :: 23.6988 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3978 HA :: 3.6331 HB2 :: 1.5087 HB3 :: 1.827 HG :: 1.6217 HD11 :: 0.9586 HD12 :: 0.9586 HD13 :: 0.9586 HD21 :: 0.8679 HD22 :: 0.8679 HD23 :: 0.8679 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.0049 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.22 R 0.07 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 177.9925 CA :: 59.2473 CB :: 28.1549 CG :: 33.8416 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.932 HA :: 3.9911 HB2 :: 2.1882 HB3 :: 2.1882 HG2 :: 2.3925 HG3 :: 2.4773 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.3646 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.2 Q 0.2 E 0.15 I 0.05 R 0.01 M 0.01 HN Overlap>> 1.T23 1.T23 C Shift Assignments>> C :: 178.716 CA :: 59.2325 CB :: 29.0346 CG :: 34.5765 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9539 HA :: 3.8864 HB2 :: 1.8787 HB3 :: 2.0933 HG2 :: 2.4254 HG3 :: 2.5955 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.6372 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V105 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 :: 177.1762 CA :: 66.0116 CB :: 31.4912 CG1 :: 22.7768 CG2 :: 20.2665 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7513 HA :: 3.2348 HB :: 1.5608 HG11 :: 0.0072 HG12 :: 0.0072 HG13 :: 0.0072 HG21 :: 0.316 HG22 :: 0.316 HG23 :: 0.316 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.5771 Ave N Shift Values>> N :: 121.14(4.54) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.9476 CA :: 66.724 CB :: 68.7566 CG2 :: 21.5125 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2512 HA :: 3.7696 HB :: 4.2409 HG21 :: 1.2389 HG22 :: 1.2389 HG23 :: 1.2389 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.8447 Ave N Shift Values>> N :: 115.42(4.75) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.38 Q 0.07 C Shift Assignments>> C :: 178.7344 CA :: 58.4804 CB :: 32.4337 CG :: 32.4272 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.2543 HA :: 4.2081 HB2 :: 2.0195 HB3 :: 2.1261 HG2 :: 2.5768 HG3 :: 2.7261 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.7906 Ave N Shift Values>> N :: 120.09(3.57) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 HN Overlap>> 1.T114 1.T114 C Shift Assignments>> C :: 174.7331 CA :: 46.338 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9029 HA2 :: 3.5428 HA3 :: 4.013 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.5466 Ave N Shift Values>> N :: 109.67(3.87) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.06 G 0.01 A 0.01 HN Overlap>> 1.L74 1.L74 2.E96 2.E96 C Shift Assignments>> C :: 177.8952 CA :: 56.1124 CB :: 42.3497 CG :: 26.4346 CD1 :: 25.8923 CD2 :: 23.2335 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.857 HA :: 4.3792 HB2 :: 1.6806 HB3 :: 1.9478 HG :: 1.9504 HD11 :: 0.7244 HD12 :: 0.7244 HD13 :: 0.7244 HD21 :: 0.7723 HD22 :: 0.7723 HD23 :: 0.7723 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.2735 Ave N Shift Values>> N :: 121.86(3.9) 1.T110 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 :: 174.6058 CA :: 62.6227 CB :: 70.0447 CG2 :: 21.3478 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5977 HA :: 4.3722 HB :: 4.3374 HG21 :: 1.2987 HG22 :: 1.2987 HG23 :: 1.2987 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.1375 Ave N Shift Values>> N :: 115.42(4.75) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4971 CA :: 58.5737 CB :: 63.6855 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9392 HA :: 4.4908 HB2 :: 3.9287 HB3 :: 3.958 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8829 Ave N Shift Values>> N :: 116.28(3.52) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.27 R 0.07 G 0.03 A 0.01 C Shift Assignments>> C :: 177.0902 CA :: 55.1335 CB :: 42.7352 CG :: 27.1143 CD1 :: 23.7401 CD2 :: 25.2159 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0656 HA :: 4.4076 HB2 :: 1.6538 HB3 :: 1.6538 HG :: 1.6552 HD11 :: 0.8894 HD12 :: 0.8894 HD13 :: 0.8894 HD21 :: 0.9499 HD22 :: 0.9499 HD23 :: 0.9499 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8537 Ave N Shift Values>> N :: 121.86(3.9) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 HN Overlap>> 2.I77 2.I77 C Shift Assignments>> C :: 177.8682 CA :: 52.5375 CB :: 19.3029 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2543 HA :: 4.4202 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.6193 Ave N Shift Values>> N :: 123.23(3.54) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.G108 1.G108 C Shift Assignments>> C :: 174.5919 CA :: 61.6065 CB :: 69.7437 CG2 :: 21.5128 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9458 HA :: 4.3865 HB :: 4.2781 HG21 :: 1.2305 HG22 :: 1.2305 HG23 :: 1.2305 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.4835 Ave N Shift Values>> N :: 115.42(4.75) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0124 CA :: 58.1655 CB :: 63.9616 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1199 HA :: 4.5011 HB2 :: 3.8969 HB3 :: 3.8969 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.5144 Ave N Shift Values>> N :: 116.28(3.52) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 176.568 CA :: 52.5238 CB :: 19.3561 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.183 HA :: 4.3938 HB1 :: 1.4092 HB2 :: 1.4092 HB3 :: 1.4092 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.3423 Ave N Shift Values>> N :: 123.23(3.54) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 M 0.19 E 0.15 K 0.1 C Shift Assignments>> C :: 180.4351 CA :: 57.3063 CB :: 30.6792 CG :: 34.338 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7651 HA :: 4.1695 HB2 :: 1.9267 HB3 :: 2.1183 HG2 :: 2.3005 HG3 :: 2.3005 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.302 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P3 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 :: 176.5336 CA :: 63.0143 CB :: 31.9281 CG :: 27.4651 CD :: 50.4179 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3921 HB2 :: 1.8705 HB3 :: 2.2586 HG2 :: 2.0191 HG3 :: 2.0191 HD2 :: 3.636 HD3 :: 3.7872 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.27 R 0.06 G 0.02 HN Overlap>> 2.R5 2.R5 C Shift Assignments>> C :: 177.1479 CA :: 55.0936 CB :: 42.5355 CG :: 27.1037 CD1 :: 24.1578 CD2 :: 25.107 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0385 HA :: 4.2965 HB2 :: 1.5561 HB3 :: 1.5923 HG :: 1.6442 HD11 :: 0.8625 HD12 :: 0.8625 HD13 :: 0.8625 HD21 :: 0.8947 HD22 :: 0.8947 HD23 :: 0.8947 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.8873 Ave N Shift Values>> N :: 121.86(3.9) 2.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.35 G 0.07 K 0.06 HN Overlap>> 2.L4 2.L4 C Shift Assignments>> C :: 175.8462 CA :: 55.6377 CB :: 31.0387 CG :: 27.2721 CD :: 43.3692 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0867 HA :: 4.3507 HB2 :: 1.7511 HB3 :: 1.8168 HG2 :: 1.6197 HG3 :: 1.6197 HD2 :: 3.1992 HD3 :: 3.1992 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.9723 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.38 R 0.13 C Shift Assignments>> C :: 175.9441 CA :: 56.1429 CB :: 32.7802 CG :: 24.8153 CD :: 28.9362 CE :: 42.0809 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1918 HA :: 4.3285 HB2 :: 1.6739 HB3 :: 1.7726 HG2 :: 1.3795 HG3 :: 1.451 HD2 :: 1.6676 HD3 :: 1.6676 HE2 :: 3.0014 HE3 :: 3.0014 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.6586 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T7 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 :: 173.2957 CA :: 62.1886 CB :: 70.5241 CG2 :: 22.0512 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7927 HA :: 4.4206 HB :: 3.95 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.0098 Ave N Shift Values>> N :: 115.42(4.75) 2.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.19 C 0.08 C Shift Assignments>> C :: 176.7292 CA :: 51.2762 CB :: 21.834 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1952 HA :: 4.8636 HB1 :: 1.5669 HB2 :: 1.5669 HB3 :: 1.5669 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9357 Ave N Shift Values>> N :: 123.23(3.54) 2.V9 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 :: 175.6758 CA :: 62.0168 CB :: 34.4842 CG1 :: 21.2626 CG2 :: 21.5416 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.807 HA :: 4.7802 HB :: 2.0101 HG11 :: 0.8948 HG12 :: 0.8948 HG13 :: 0.8948 HG21 :: 1.0418 HG22 :: 1.0418 HG23 :: 1.0418 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.0927 Ave N Shift Values>> N :: 121.14(4.54) 2.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 A 0.19 L 0.19 C 0.12 R 0.01 C Shift Assignments>> C :: 175.1492 CA :: 52.5768 CB :: 44.4828 CG :: 26.5562 CD1 :: 22.1537 CD2 :: 25.8515 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.689 HA :: 5.071 HB2 :: 1.1845 HB3 :: 1.6577 HG :: 1.4337 HD11 :: 0.4557 HD12 :: 0.4557 HD13 :: 0.4557 HD21 :: 0.0975 HD22 :: 0.0975 HD23 :: 0.0975 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.9318 Ave N Shift Values>> N :: 121.86(3.9) 2.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.28 K 0.14 C Shift Assignments>> C :: 173.6337 CA :: 54.6758 CB :: 36.4672 CG :: 25.7305 CD :: 30.6185 CE :: 41.6803 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.2584 HA :: 5.0971 HB2 :: 1.2118 HB3 :: 1.461 HG2 :: 0.7207 HG3 :: 1.1167 HD2 :: 1.4678 HD3 :: 1.5537 HE2 :: 2.6023 HE3 :: 2.6765 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.1075 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.13 L 0.11 A 0.05 R 0.01 C Shift Assignments>> C :: 173.7746 CA :: 52.8799 CB :: 45.2497 CG :: 27.3498 CD1 :: 23.2225 CD2 :: 26.9002 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.123 HA :: 5.1593 HB2 :: 1.1166 HB3 :: 1.765 HG :: 1.4204 HD11 :: 0.7887 HD12 :: 0.7887 HD13 :: 0.7887 HD21 :: 0.7521 HD22 :: 0.7521 HD23 :: 0.7521 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.8453 Ave N Shift Values>> N :: 121.86(3.9) 2.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 D 0.13 C 0.13 L 0.09 N 0.07 I 0.04 C Shift Assignments>> C :: 175.863 CA :: 56.6001 CB :: 39.5646 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.1908 HA :: 5.3731 HB2 :: 2.6315 HB3 :: 2.8218 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.3637 Ave N Shift Values>> N :: 120.52(4.2) 2.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 V 0.02 A 0.01 C Shift Assignments>> C :: 173.4952 CA :: 58.4814 CB :: 35.542 CG1 :: 21.6894 CG2 :: 17.1609 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8967 HA :: 4.7574 HB :: 2.2113 HG11 :: 0.8305 HG12 :: 0.8305 HG13 :: 0.8305 HG21 :: 0.6472 HG22 :: 0.6472 HG23 :: 0.6472 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.0682 Ave N Shift Values>> N :: 121.14(4.54) 2.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 176.2482 CA :: 50.2965 CB :: 19.2587 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2775 HA :: 4.8659 HB1 :: 1.1978 HB2 :: 1.1978 HB3 :: 1.1978 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6747 Ave N Shift Values>> N :: 123.23(3.54) 2.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 172.779 CA :: 45.9785 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9844 HA2 :: 3.6757 HA3 :: 3.8469 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.2704 Ave N Shift Values>> N :: 109.67(3.87) 2.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.12 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 174.8573 CA :: 51.7721 CB :: 38.4993 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5722 HA :: 4.8554 HB2 :: 2.4476 HB3 :: 2.79 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.7615 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.9658 CA :: 60.1543 CB :: 68.9357 CG2 :: 21.96 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5078 HA :: 4.5723 HB :: 4.6338 HG21 :: 1.406 HG22 :: 1.406 HG23 :: 1.406 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.8358 Ave N Shift Values>> N :: 115.42(4.75) 2.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 66.4771 CB :: 31.8387 CG :: 27.85 CD :: 50.4195 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2339 HB2 :: 1.9684 HB3 :: 2.397 HG2 :: 2.0852 HG3 :: 2.2561 HD2 :: 3.8026 HD3 :: 3.9162 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.21 Y 0.19 E 0.15 F 0.14 N 0.12 M 0.04 I 0.03 D 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.4686 CA :: 56.0752 CB :: 37.5417 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.4725 HB2 :: 2.7699 HB3 :: 2.8909 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 2.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y26 1.Y26 2.L93 2.L93 C Shift Assignments>> C :: 175.2894 CA :: 62.9898 CB :: 63.2493 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8025 HA :: 4.1423 HB2 :: 3.8003 HB3 :: 3.984 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.845 Ave N Shift Values>> N :: 116.28(3.52) 2.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.8486 CA :: 66.8319 CB :: 31.6275 CG1 :: 23.0347 CG2 :: 21.3572 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1959 HA :: 3.5611 HB :: 2.0056 HG11 :: 0.9128 HG12 :: 0.9128 HG13 :: 0.9128 HG21 :: 0.9055 HG22 :: 0.9055 HG23 :: 0.9055 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5432 Ave N Shift Values>> N :: 121.14(4.54) 2.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.39 G 0.09 K 0.03 C Shift Assignments>> C :: 179.4619 CA :: 59.7397 CB :: 30.2556 CG :: 27.7572 CD :: 43.5325 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1639 HA :: 4.0322 HB2 :: 1.9157 HB3 :: 1.9157 HG2 :: 1.6382 HG3 :: 1.8024 HD2 :: 3.2537 HD3 :: 3.2537 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.9549 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 178.4076 CA :: 54.924 CB :: 18.5177 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5412 HA :: 4.0529 HB1 :: 1.4337 HB2 :: 1.4337 HB3 :: 1.4337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3276 Ave N Shift Values>> N :: 123.23(3.54) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.44 R 0.09 G 0.01 HN Overlap>> 1.N84 1.T23 1.N84 1.T23 C Shift Assignments>> C :: 177.5375 CA :: 58.389 CB :: 42.1087 CG :: 26.9407 CD1 :: 24.5115 CD2 :: 26.2202 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.819 HA :: 3.7688 HB2 :: 1.4118 HB3 :: 1.4525 HG :: 1.5125 HD11 :: 0.8551 HD12 :: 0.8551 HD13 :: 0.8551 HD21 :: 0.8578 HD22 :: 0.8578 HD23 :: 0.8578 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7264 Ave N Shift Values>> N :: 121.86(3.9) 2.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.37 R 0.09 C Shift Assignments>> C :: 179.636 CA :: 60.2707 CB :: 32.7081 CG :: 25.9408 CD :: 29.6511 CE :: 41.6473 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3814 HA :: 3.8107 HB2 :: 1.8621 HB3 :: 1.8621 HG2 :: 1.3253 HG3 :: 1.6706 HD2 :: 1.6872 HD3 :: 1.6872 HE2 :: 2.9461 HE3 :: 3.007 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.4848 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.3251 CA :: 66.9461 CB :: 68.6789 CG2 :: 20.8303 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1949 HA :: 3.9464 HB :: 4.3557 HG21 :: 1.1491 HG22 :: 1.1491 HG23 :: 1.1491 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.2999 Ave N Shift Values>> N :: 115.42(4.75) 2.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.29 R 0.15 K 0.02 HN Overlap>> 2.V73 2.V73 C Shift Assignments>> C :: 178.1285 CA :: 57.8031 CB :: 41.6845 CG :: 27.7132 CD1 :: 25.5258 CD2 :: 26.93 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3561 HA :: 3.9432 HB2 :: 1.5046 HB3 :: 1.8195 HG :: 1.6403 HD11 :: 0.8146 HD12 :: 0.8146 HD13 :: 0.8146 HD21 :: 0.8343 HD22 :: 0.8343 HD23 :: 0.8343 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1301 Ave N Shift Values>> N :: 121.86(3.9) 2.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.13 I 0.1 C 0.02 C Shift Assignments>> C :: 178.3191 CA :: 56.294 CB :: 17.2342 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4223 HA :: 3.7197 HB1 :: 1.2569 HB2 :: 1.2569 HB3 :: 1.2569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2147 Ave N Shift Values>> N :: 123.23(3.54) 2.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.22 D 0.14 C 0.13 N 0.11 L 0.08 I 0.03 C Shift Assignments>> C :: 177.421 CA :: 56.1467 CB :: 39.2139 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.4502 HA :: 4.5057 HB2 :: 2.889 HB3 :: 3.0476 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.5341 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.5427 CA :: 65.0688 CB :: 38.5891 CG1 :: 27.8688 CG2 :: 17.7186 CD1 :: 13.9803 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9914 HA :: 3.9339 HB :: 1.9274 HG12 :: 1.1354 HG13 :: 1.6292 HG21 :: 0.9036 HG22 :: 0.9036 HG23 :: 0.9036 HD11 :: 0.7817 HD12 :: 0.7817 HD13 :: 0.7817 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.9377 Ave N Shift Values>> N :: 121.46(4.28) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.34 C Shift Assignments>> C :: 177.8521 CA :: 58.5017 CB :: 40.6051 CG :: 26.7202 CD1 :: 23.9624 CD2 :: 26.8417 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6089 HA :: 4.183 HB2 :: 1.6866 HB3 :: 1.762 HG :: 2.0111 HD11 :: 0.7246 HD12 :: 0.7246 HD13 :: 0.7246 HD21 :: 0.7026 HD22 :: 0.7026 HD23 :: 0.7026 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4922 Ave N Shift Values>> N :: 121.86(3.9) 2.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 Q 0.07 K 0.06 I 0.04 C Shift Assignments>> C :: 177.081 CA :: 57.9744 CB :: 30.3688 CG :: 35.9329 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4566 HA :: 4.2027 HB2 :: 2.1036 HB3 :: 2.2297 HG2 :: 2.3163 HG3 :: 2.4193 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.0454 Ave N Shift Values>> N :: 120.67(3.48) 2.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 177.9072 CA :: 57.3991 CB :: 33.7707 CG :: 25.2334 CD :: 28.5433 CE :: 42.1065 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6493 HA :: 4.4061 HB2 :: 1.9178 HB3 :: 1.9178 HG2 :: 1.4865 HG3 :: 1.5104 HD2 :: 1.6864 HD3 :: 1.6864 HE2 :: 3.0111 HE3 :: 3.0111 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.8966 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 I 0.05 M 0.05 Q 0.05 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 176.8343 CA :: 57.7491 CB :: 30.0033 CG :: 36.2711 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7861 HA :: 4.2797 HB2 :: 1.5661 HB3 :: 1.9095 HG2 :: 2.1988 HG3 :: 2.1988 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.7801 Ave N Shift Values>> N :: 120.67(3.48) 2.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.17 L 0.13 C 0.11 N 0.05 I 0.03 K 0.02 C Shift Assignments>> C :: 174.8459 CA :: 56.4821 CB :: 40.1149 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.3947 HA :: 4.7891 HB2 :: 3.057 HB3 :: 3.6204 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.1568 Ave N Shift Values>> N :: 120.45(4.18) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 178.6718 CA :: 58.5724 CB :: 31.9623 CG :: 24.1968 CD :: 29.3284 CE :: 41.8899 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4429 HA :: 4.2113 HB2 :: 1.6835 HB3 :: 1.9138 HG2 :: 1.3151 HG3 :: 1.5217 HD2 :: 1.7551 HD3 :: 1.7551 HE2 :: 3.0565 HE3 :: 3.0565 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4493 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.4777 CA :: 45.7468 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2674 HA2 :: 4.0917 HA3 :: 4.182 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.5816 Ave N Shift Values>> N :: 109.67(3.87) 2.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 174.7625 CA :: 65.1177 CB :: 34.1086 CG1 :: 20.3777 CG2 :: 21.4439 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.8771 HA :: 3.9858 HB :: 1.8333 HG11 :: 0.0883 HG12 :: 0.0883 HG13 :: 0.0883 HG21 :: 0.7678 HG22 :: 0.7678 HG23 :: 0.7678 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.6828 Ave N Shift Values>> N :: 121.14(4.54) 2.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 R 0.15 D 0.11 F 0.11 Y 0.08 C 0.05 C Shift Assignments>> C :: 177.3468 CA :: 56.4977 CB :: 42.2759 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8255 HA :: 5.4924 HB2 :: 2.7875 HB3 :: 2.9139 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.942 Ave N Shift Values>> N :: 120.52(4.2) 2.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.9406 CA :: 51.1492 CB :: 21.0448 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9281 HA :: 4.9029 HB1 :: 1.4847 HB2 :: 1.4847 HB3 :: 1.4847 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8359 Ave N Shift Values>> N :: 123.23(3.54) 2.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.3 C 0.16 A 0.01 HN Overlap>> 1.A41 1.A41 C Shift Assignments>> C :: 172.7793 CA :: 53.2023 CB :: 45.9687 CG :: 27.0658 CD1 :: 25.4515 CD2 :: 24.2567 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6393 HA :: 5.0769 HB2 :: 1.0031 HB3 :: 1.035 HG :: 1.3086 HD11 :: 0.6633 HD12 :: 0.6633 HD13 :: 0.6633 HD21 :: 0.7152 HD22 :: 0.7152 HD23 :: 0.7152 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.4123 Ave N Shift Values>> N :: 121.86(3.9) 2.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.3 M 0.2 Q 0.1 K 0.05 C Shift Assignments>> C :: 174.7067 CA :: 54.0824 CB :: 35.8331 CD :: 30.5585 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.4722 HA :: 5.6262 HB2 :: 1.17 HB3 :: 1.3921 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.4768 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.8031 CA :: 60.9274 CB :: 33.3714 CG1 :: 22.0078 CG2 :: 21.2585 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5685 HA :: 4.798 HB :: 1.9033 HG11 :: 0.7139 HG12 :: 0.7139 HG13 :: 0.7139 HG21 :: 0.7371 HG22 :: 0.7371 HG23 :: 0.7371 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.6993 Ave N Shift Values>> N :: 121.14(4.54) 2.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.45 C Shift Assignments>> C :: 173.4374 CA :: 59.8447 CB :: 41.3567 CG1 :: 27.7121 CG2 :: 19.2339 CD1 :: 14.1333 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.7551 HA :: 4.0117 HB :: 1.3131 HG12 :: 0.7159 HG13 :: 0.8972 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 HD11 :: 0.2604 HD12 :: 0.2604 HD13 :: 0.2604 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.9711 Ave N Shift Values>> N :: 121.46(4.28) 2.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.16 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 178.9803 CA :: 51.9088 CB :: 41.6517 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.7123 HA :: 5.224 HB2 :: 2.2209 HB3 :: 3.0495 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.1798 Ave N Shift Values>> N :: 120.65(3.86) 2.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 176.823 CA :: 63.8831 CB :: 31.1093 CG1 :: 19.2066 CG2 :: 23.0663 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.4346 HA :: 3.8602 HB :: 2.3126 HG11 :: 0.9289 HG12 :: 0.9289 HG13 :: 0.9289 HG21 :: 1.0556 HG22 :: 1.0556 HG23 :: 1.0556 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.4669 Ave N Shift Values>> N :: 121.14(4.54) 2.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.44 A 0.05 C Shift Assignments>> C :: 178.9513 CA :: 56.3124 CB :: 40.7822 CG :: 27.3189 CD1 :: 22.0807 CD2 :: 25.1791 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6409 HA :: 4.2479 HB2 :: 1.527 HB3 :: 1.8689 HG :: 1.5588 HD11 :: 0.8269 HD12 :: 0.8269 HD13 :: 0.8269 HD21 :: 0.8482 HD22 :: 0.8482 HD23 :: 0.8482 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.1243 Ave N Shift Values>> N :: 121.86(3.9) 2.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 Q 0.22 K 0.18 C 0.17 R 0.05 H 0.05 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 176.27 CA :: 55.8531 CB :: 33.6723 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.9521 HA :: 4.3332 HB2 :: 1.9511 HB3 :: 1.9511 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.6271 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.31 L 0.09 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 172.1959 CA :: 51.3765 CB :: 40.251 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.581 HA :: 5.3163 HB2 :: 2.4845 HB3 :: 2.7301 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.8282 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 179.2174 CA :: 65.2332 CB :: 31.4451 CG :: 27.4091 CD :: 50.6638 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4404 HB2 :: 2.0271 HB3 :: 2.4026 HG2 :: 2.0615 HG3 :: 2.0615 HD2 :: 3.3083 HD3 :: 3.7326 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.24 K 0.15 R 0.12 E 0.04 I 0.03 C Shift Assignments>> C :: 178.3308 CA :: 58.5446 CB :: 27.3994 CG :: 33.8897 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.683 HA :: 4.217 HB2 :: 2.1335 HB3 :: 2.1335 HG2 :: 2.4158 HG3 :: 2.5227 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.9879 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 R 0.03 A 0.01 C Shift Assignments>> C :: 178.4983 CA :: 56.9446 CB :: 41.4204 CG :: 27.2045 CD1 :: 22.8763 CD2 :: 25.4731 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4043 HA :: 4.209 HB2 :: 1.6499 HB3 :: 1.8359 HG :: 1.7363 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.9251 HD22 :: 0.9251 HD23 :: 0.9251 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8731 Ave N Shift Values>> N :: 121.86(3.9) 2.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 178.8587 CA :: 54.3105 CB :: 18.3276 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2194 HA :: 3.8463 HB1 :: 1.4156 HB2 :: 1.4156 HB3 :: 1.4156 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7763 Ave N Shift Values>> N :: 123.23(3.54) 2.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.11 K 0.08 Q 0.04 M 0.02 HN Overlap>> 2.I88 2.I88 C Shift Assignments>> C :: 179.8945 CA :: 58.8756 CB :: 29.5914 CG :: 36.1506 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7022 HA :: 4.0589 HB2 :: 2.0725 HB3 :: 2.0725 HG2 :: 2.2166 HG3 :: 2.2897 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.472 Ave N Shift Values>> N :: 120.67(3.48) 2.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.13 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.6023 CA :: 59.185 CB :: 29.6175 CG :: 36.1644 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0189 HA :: 3.9979 HB2 :: 2.0605 HB3 :: 2.1077 HG2 :: 2.2964 HG3 :: 2.3585 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.427 Ave N Shift Values>> N :: 120.67(3.48) 2.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.24 L 0.14 F 0.1 Y 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 174.5451 CA :: 53.9386 CB :: 40.2005 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.4772 HA :: 4.7416 HB2 :: 2.3771 HB3 :: 2.6653 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2804 Ave N Shift Values>> N :: 120.65(3.86) 2.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.28 R 0.26 L 0.02 G 0.01 HN Overlap>> 2.I88 2.I88 C Shift Assignments>> C :: 174.9913 CA :: 56.4315 CB :: 29.1648 CG :: 24.7865 CD :: 28.8457 CE :: 42.2547 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6269 HA :: 3.7775 HB2 :: 1.7359 HB3 :: 1.8993 HG2 :: 1.3231 HG3 :: 1.3231 HD2 :: 1.6047 HD3 :: 1.6047 HE2 :: 3.0042 HE3 :: 3.0042 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.5853 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 I 0.03 A 0.01 C Shift Assignments>> C :: 175.9126 CA :: 58.409 CB :: 35.4122 CG1 :: 25.3813 CG2 :: 17.0626 CD1 :: 9.2995 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.864 HA :: 3.9245 HB :: 1.6359 HG12 :: -0.0853(S) HG13 :: 0.9574 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 HD11 :: 0.0818 HD12 :: 0.0818 HD13 :: 0.0818 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.4722 Ave N Shift Values>> N :: 121.46(4.28) 2.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.24 G 0.07 R 0.05 A 0.03 C Shift Assignments>> C :: 176.0836 CA :: 54.9819 CB :: 43.3069 CG :: 27.08 CD1 :: 24.9416 CD2 :: 23.1058 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2028 HA :: 4.3346 HB2 :: 1.5517 HB3 :: 1.5517 HG :: 1.5232 HD11 :: 0.8294 HD12 :: 0.8294 HD13 :: 0.8294 HD21 :: 0.7407 HD22 :: 0.7407 HD23 :: 0.7407 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.6974 Ave N Shift Values>> N :: 121.86(3.9) 2.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.14 C 0.07 C Shift Assignments>> C :: 175.7764 CA :: 51.0996 CB :: 21.638 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6014 HA :: 4.5872 HB1 :: 1.2626 HB2 :: 1.2626 HB3 :: 1.2626 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2387 Ave N Shift Values>> N :: 123.23(3.54) 2.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.49 C 0.49 A 0.01 C Shift Assignments>> C :: 172.2442 CA :: 57.9503 CB :: 70.4587 CG2 :: 22.6945 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0753 HA :: 4.5135 HB :: 4.0527 HG21 :: 0.8794 HG22 :: 0.8794 HG23 :: 0.8794 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.8008 Ave N Shift Values>> N :: 115.42(4.75) 2.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.08 C Shift Assignments>> C :: 176.1172 CA :: 62.2475 CB :: 34.2962 CG :: 24.7386 CD :: 50.1878 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.3202 HB2 :: 1.9364 HB3 :: 2.3035 HG2 :: 1.794 HG3 :: 1.9393 HD2 :: 3.5019 HD3 :: 3.5605 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 171.4961 CA :: 62.7327 CB :: 73.001 CG2 :: 21.7536 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2014 HA :: 4.8258 HB :: 3.9184 HG21 :: 1.1215 HG22 :: 1.1215 HG23 :: 1.1215 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.4553 Ave N Shift Values>> N :: 115.42(4.75) 2.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.24 L 0.2 A 0.01 C Shift Assignments>> C :: 173.7514 CA :: 53.166 CB :: 46.3677 CG :: 27.0446 CD1 :: 24.6473 CD2 :: 26.2508 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0692 HA :: 5.4631 HB2 :: 1.2195 HB3 :: 1.9316 HG :: 1.3528 HD11 :: 0.8051 HD12 :: 0.8051 HD13 :: 0.8051 HD21 :: 0.7039 HD22 :: 0.7039 HD23 :: 0.7039 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.8206 Ave N Shift Values>> N :: 121.86(3.9) 2.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 L 0.33 C 0.15 K 0.01 C Shift Assignments>> C :: 175.4183 CA :: 50.2571 CB :: 22.7234 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.6077 HA :: 5.3333 HB1 :: 1.2982 HB2 :: 1.2982 HB3 :: 1.2982 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.0342 Ave N Shift Values>> N :: 123.23(3.54) 2.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.17 C Shift Assignments>> C :: 175.2191 CA :: 56.366 CB :: 32.7304 CE :: 42.0121 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0029 HA :: 4.7113 HB2 :: 1.6265 HB3 :: 1.7577 HE2 :: 2.9899 HE3 :: 2.9899 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.5089 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V68 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 :: 173.2794 CA :: 62.0707 CB :: 33.0348 CG1 :: 19.7781 CG2 :: 21.9498 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5425 HA :: 4.5646 HB :: 2.1733 HG11 :: 0.8475 HG12 :: 0.8475 HG13 :: 0.8475 HG21 :: 0.9122 HG22 :: 0.9122 HG23 :: 0.9122 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2745 Ave N Shift Values>> N :: 121.14(4.54) 2.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.24 C 0.14 A 0.02 C Shift Assignments>> C :: 175.2668 CA :: 52.3617 CB :: 46.1676 CG :: 27.1099 CD1 :: 25.5091 CD2 :: 24.098 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3459 HA :: 4.4502 HB2 :: 1.5801 HG :: 1.5726 HD11 :: 0.9709 HD12 :: 0.9709 HD13 :: 0.9709 HD21 :: 1.0051 HD22 :: 1.0051 HD23 :: 1.0051 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.5725 Ave N Shift Values>> N :: 121.86(3.9) 2.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 P 0.37 C Shift Assignments>> CA :: 61.9082 CB :: 32.3482 CG :: 25.1861 CD :: 49.8839 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.7483 HB2 :: 2.0288 HB3 :: 2.3599 HG2 :: 1.8803 HG3 :: 1.8803 HD2 :: 3.5646 HD3 :: 3.5646 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> CA :: 62.0321 CB :: 30.3019 CG :: 27.3399 CD :: 50.0406 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.1524 HB2 :: 1.9337 HB3 :: 2.4153 HG2 :: 2.0419 HG3 :: 2.0823 HD2 :: 3.6069 HD3 :: 3.7626 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 C Shift Assignments>> C :: 175.8855 CA :: 61.5743 CB :: 35.2404 CG :: 24.506 CD :: 50.5415 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.615 HB2 :: 2.0558 HB3 :: 2.3839 HG2 :: 1.6972 HG3 :: 1.9324 HD2 :: 3.4218 HD3 :: 3.495 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 2.L28 2.L28 C Shift Assignments>> C :: 176.8356 CA :: 63.046 CB :: 31.5106 CG1 :: 23.7573 CG2 :: 21.3575 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3658 HA :: 4.5227 HB :: 1.9978 HG11 :: 0.9518 HG12 :: 0.9518 HG13 :: 0.9518 HG21 :: 0.9117 HG22 :: 0.9117 HG23 :: 0.9117 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.2163 Ave N Shift Values>> N :: 121.14(4.54) 2.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.3 K 0.13 G 0.11 C Shift Assignments>> C :: 174.9766 CA :: 54.0001 CB :: 34.0853 CG :: 26.6475 CD :: 43.1798 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6093 HA :: 4.7935 HB2 :: 1.693 HB3 :: 1.784 HG2 :: 1.6537 HG3 :: 1.6537 HD2 :: 3.1268 HD3 :: 3.2792 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.8685 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.12 G 0.05 C Shift Assignments>> C :: 175.1176 CA :: 55.7112 CB :: 31.9265 CG :: 27.4653 CD :: 43.2681 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.7104 HA :: 4.7559 HB2 :: 1.6528 HB3 :: 1.756 HG2 :: 1.6284 HG3 :: 1.6284 HD2 :: 3.1353 HD3 :: 3.244 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.31 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.696 CA :: 60.5964 CB :: 38.7979 CG1 :: 27.8177 CG2 :: 17.6946 CD1 :: 13.2105 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.8872 HA :: 4.3199 HB :: 1.8103 HG12 :: 1.1696 HG13 :: 1.324 HG21 :: 0.7817 HG22 :: 0.7817 HG23 :: 0.7817 HD11 :: 0.6903 HD12 :: 0.6903 HD13 :: 0.6903 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.9498 Ave N Shift Values>> N :: 121.46(4.28) 2.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.A113 1.A113 C Shift Assignments>> C :: 175.5214 CA :: 60.4921 CB :: 39.775 CG1 :: 27.3624 CG2 :: 17.6776 CD1 :: 13.7218 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1592 HA :: 4.4737 HB :: 1.824 HG12 :: 1.1784 HG13 :: 1.4422 HG21 :: 0.8353 HG22 :: 0.8353 HG23 :: 0.8353 HD11 :: 0.8208 HD12 :: 0.8208 HD13 :: 0.8208 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.584 Ave N Shift Values>> N :: 121.46(4.28) 2.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.3384 CA :: 44.5848 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0846 HA2 :: 3.8734 HA3 :: 4.1285 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.0311 Ave N Shift Values>> N :: 109.67(3.87) 2.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.34 L 0.21 N 0.13 F 0.09 K 0.08 Y 0.06 C 0.05 C Shift Assignments>> C :: 176.567 CA :: 53.9657 CB :: 40.9982 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.5233 HB2 :: 2.6518 HB3 :: 2.7682 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 2.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 A 0.04 R 0.03 C Shift Assignments>> C :: 175.2658 CA :: 54.8597 CB :: 41.0812 CG :: 27.0281 CD1 :: 23.3065 CD2 :: 26.6838 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2212 HA :: 4.0582 HB2 :: 1.5577 HB3 :: 1.6705 HG :: 1.6837 HD11 :: 0.6817 HD12 :: 0.6817 HD13 :: 0.6817 HD21 :: 0.7501 HD22 :: 0.7501 HD23 :: 0.7501 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.2518 Ave N Shift Values>> N :: 121.86(3.9) 2.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0683 CA :: 59.1078 CB :: 64.0153 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9855 HA :: 4.3168 HB2 :: 3.755 HB3 :: 3.9549 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.9025 Ave N Shift Values>> N :: 116.28(3.52) 2.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 174.2909 CA :: 52.0347 CB :: 39.0608 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.5229 HA :: 4.7905 HB2 :: 2.6744 HB3 :: 3.0867 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.7448 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.47 R 0.39 G 0.07 K 0.05 C Shift Assignments>> C :: 176.8232 CA :: 60.1674 CB :: 30.4785 CG :: 27.71 CD :: 43.3085 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 3.6266 HB2 :: 1.7951 HB3 :: 1.9213 HG2 :: 1.4299 HG3 :: 1.5654 HD2 :: 3.1294 HD3 :: 3.1294 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.29 E 0.26 K 0.03 C Shift Assignments>> C :: 178.853 CA :: 60.082 CB :: 29.2801 CG :: 36.8263 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1569 HA :: 3.9888 HB2 :: 2.0641 HB3 :: 2.1462 HG2 :: 2.3246 HG3 :: 2.3246 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8724 Ave N Shift Values>> N :: 120.67(3.48) 2.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.14 C Shift Assignments>> C :: 179.7822 CA :: 58.9361 CB :: 32.4757 CG :: 25.7429 CD :: 29.0022 CE :: 42.0927 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6346 HA :: 4.0375 HB2 :: 1.9101 HB3 :: 1.9101 HG2 :: 1.4197 HG3 :: 1.5834 HD2 :: 1.5964 HD3 :: 1.7178 HE2 :: 2.9973 HE3 :: 2.9973 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.1452 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 P 0.19 C 0.1 I 0.03 HN Overlap>> 2.L92 2.L92 C Shift Assignments>> C :: 177.0536 CA :: 66.7647 CB :: 31.3687 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.966 HA :: 3.4704 HB :: 2.0037 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.5554 Ave N Shift Values>> N :: 121.14(4.54) 2.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.31 L 0.25 R 0.04 C Shift Assignments>> C :: 179.0631 CA :: 59.2601 CB :: 42.1346 CG :: 27.5718 CD1 :: 25.1273 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3142 HA :: 4.022 HB2 :: 1.8026 HB3 :: 1.8616 HG :: 1.7628 HD11 :: 0.9643 HD12 :: 0.9643 HD13 :: 0.9643 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.2131 Ave N Shift Values>> N :: 121.86(3.9) 2.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 2.K58 2.K58 2.E55 2.E55 C Shift Assignments>> C :: 178.0864 CA :: 65.0683 CB :: 38.2693 CG1 :: 29.3735 CG2 :: 17.173 CD1 :: 13.3309 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6991 HA :: 3.7081 HB :: 1.8881 HG12 :: 1.2323 HG13 :: 1.8119 HG21 :: 0.9704 HG22 :: 0.9704 HG23 :: 0.9704 HD11 :: 0.9004 HD12 :: 0.9004 HD13 :: 0.9004 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.5595 Ave N Shift Values>> N :: 121.46(4.28) 2.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.4842 CA :: 55.3927 CB :: 18.049 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6284 HA :: 4.0802 HB1 :: 1.4377 HB2 :: 1.4377 HB3 :: 1.4377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3959 Ave N Shift Values>> N :: 123.23(3.54) 2.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.37 R 0.09 A 0.01 C Shift Assignments>> C :: 179.9597 CA :: 57.1945 CB :: 41.7817 CG :: 26.8443 CD1 :: 22.4515 CD2 :: 26.4773 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.441 HA :: 3.8659 HB2 :: 0.607 HB3 :: 1.6877 HG :: 1.5689 HD11 :: 0.2281 HD12 :: 0.2281 HD13 :: 0.2281 HD21 :: 0.3925 HD22 :: 0.3925 HD23 :: 0.3925 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.2535 Ave N Shift Values>> N :: 121.86(3.9) 2.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.36 G 0.11 K 0.03 C Shift Assignments>> C :: 178.8595 CA :: 59.8801 CB :: 29.9877 CG :: 28.0468 CD :: 43.6128 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4734 HA :: 4.2886 HB2 :: 2.0992 HB3 :: 2.188 HG2 :: 1.8373 HG3 :: 2.0309 HD2 :: 3.231 HD3 :: 3.2713 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.7034 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 R 0.02 HN Overlap>> 2.V86 2.V86 C Shift Assignments>> C :: 180.4258 CA :: 57.9201 CB :: 41.5644 CG :: 26.9773 CD1 :: 23.3134 CD2 :: 25.2643 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0307 HA :: 4.1571 HB2 :: 1.6193 HB3 :: 1.9014 HG :: 1.8465 HD11 :: 0.8957 HD12 :: 0.8957 HD13 :: 0.8957 HD21 :: 0.9119 HD22 :: 0.9119 HD23 :: 0.9119 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5414 Ave N Shift Values>> N :: 121.86(3.9) 2.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 K 0.15 R 0.01 HN Overlap>> 2.S21 2.S21 C Shift Assignments>> C :: 178.1756 CA :: 57.2284 CB :: 41.9222 CG :: 26.5731 CD1 :: 24.7923 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8508 HA :: 4.096 HB2 :: 1.5642 HB3 :: 1.7994 HG :: 1.8612 HD11 :: 0.7542 HD12 :: 0.7542 HD13 :: 0.7542 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.9456 Ave N Shift Values>> N :: 121.86(3.9) 2.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 179.8475 CA :: 54.483 CB :: 18.1265 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7224 HA :: 4.0571 HB1 :: 1.5879 HB2 :: 1.5879 HB3 :: 1.5879 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1956 Ave N Shift Values>> N :: 123.23(3.54) 2.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.09 K 0.06 M 0.03 Q 0.03 HN Overlap>> 1.Q67 1.Q67 C Shift Assignments>> C :: 177.9897 CA :: 58.2703 CB :: 29.8257 CG :: 36.4724 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7482 HA :: 4.154 HB2 :: 2.163 HB3 :: 2.163 HG2 :: 2.511 HG3 :: 2.511 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.9204 Ave N Shift Values>> N :: 120.67(3.48) 2.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.06 M 0.05 K 0.05 Q 0.03 HN Overlap>> 1.L74 1.L109 1.L74 1.L109 C Shift Assignments>> C :: 178.0448 CA :: 57.7762 CB :: 30.0923 CG :: 36.5065 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7909 HA :: 4.2636 HB2 :: 2.1697 HB3 :: 2.1697 HG2 :: 2.2445 HG3 :: 2.3613 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3358 Ave N Shift Values>> N :: 120.67(3.48) 2.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.0537 CA :: 62.9128 CB :: 38.5135 CG2 :: 17.7022 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8979 HA :: 3.9851 HB :: 1.9286 HG21 :: 0.9028 HG22 :: 0.9028 HG23 :: 0.9028 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.4743 Ave N Shift Values>> N :: 121.46(4.28) 2.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.7108 CA :: 45.7105 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9212 HA2 :: 3.9367 HA3 :: 3.9367 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6561 Ave N Shift Values>> N :: 109.67(3.87) 2.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 N 0.08 F 0.08 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 175.7431 CA :: 54.0531 CB :: 41.4653 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8685 HA :: 4.684 HB2 :: 2.5595 HB3 :: 2.6888 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.9942 Ave N Shift Values>> N :: 120.65(3.86) 2.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.14 D 0.03 L 0.02 E 0.02 N 0.01 C Shift Assignments>> C :: 175.309 CA :: 58.2176 CB :: 38.7843 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.873 HA :: 4.4931 HB2 :: 3.0206 HB3 :: 3.0206 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.9064 Ave N Shift Values>> N :: 120.52(4.2) 2.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 Q 0.04 R 0.02 C Shift Assignments>> C :: 175.5349 CA :: 55.635 CB :: 33.6889 CG :: 24.4712 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9356 HA :: 4.3332 HB2 :: 1.679 HB3 :: 1.7837 HG2 :: 1.3706 HG3 :: 1.3706 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.228 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.15 F 0.08 Y 0.06 N 0.06 C 0.05 R 0.04 C Shift Assignments>> C :: 175.9952 CA :: 54.4722 CB :: 41.6258 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1509 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.8701 Ave N Shift Values>> N :: 120.65(3.86) 2.D103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 218 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 215 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 222 #Suspicious: 1 C Shift Results: #Consistent: 930 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent:1499 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 200 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E1 Typing: Mistyped 1.E1 CA = 64.9636(A), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5496e-04 1.S14 HB2 = 1.172(A), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4279e-27 1.S14 HB3 = 2.693(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.8259e-05 1.C18 Typing: Mistyped 1.C18 CA = 45.1001(S), Expected = 58.30, Std = 3.3300, ChiSquare = 7.3725e-05 1.C18 SRO Rule Break>> CA > CB : 1 1.V58 HG11 = -0.0919(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9147e-04 1.V58 HG12 = -0.0919(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9147e-04 1.V58 HG13 = -0.0919(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9147e-04 2.I59 HG12 = -0.0853(S), Expected = 1.28, Std = 0.4000, ChiSquare = 6.4193e-04