Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.33 Q 0.28 E 0.28 K 0.08 C Shift Assignments>> CA :: 56.022 CB :: 34.786 CG :: 30.946 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>> HA :: 4.194 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.487 HG3 :: 2.487 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) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.29 R 0.14 HN Overlap>> 1.L177 1.L177 C Shift Assignments>> CA :: 54.675 CB :: 44.153 CG :: 27.732 CD1 :: 24.551 CD2 :: 25.778 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 :: 9.064 HA :: 4.77 HB2 :: 1.705 HB3 :: 1.705 HG :: 1.723 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 124.376 Ave N Shift Values>> N :: 121.86(3.9) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.34 G 0.03 C Shift Assignments>> CA :: 55.606 CB :: 34.767 CG :: 25.229 CD :: 29.422 CE :: 42.591 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 :: 8.423 HA :: 4.939 HB2 :: 1.711 HB3 :: 1.972 HG2 :: 1.497 HG3 :: 1.497 HD2 :: 1.756 HD3 :: 1.807 HE2 :: 3.082 HE3 :: 3.082 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 :: 122.451 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.17 R 0.04 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.887 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62 HA2 :: 3.195 HA3 :: 4.521 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.312 Ave N Shift Values>> N :: 109.67(3.87) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.791 CB :: 33.123 CG1 :: 20.489 CG2 :: 21.058 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 :: 8.946 HA :: 4.148 HB :: 1.829 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 124.925 Ave N Shift Values>> N :: 121.14(4.54) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.39 C Shift Assignments>> CA :: 53.182 CB :: 17.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.963 HA :: 4.119 HB1 :: 1.26 HB2 :: 1.26 HB3 :: 1.26 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.691 Ave N Shift Values>> N :: 123.23(3.54) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.41 K 0.01 C Shift Assignments>> CA :: 53.082 CB :: 21.888 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.152 HA :: 4.45 HB1 :: 1.247 HB2 :: 1.247 HB3 :: 1.247 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.551 Ave N Shift Values>> N :: 123.23(3.54) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> CA :: 62.069 CB :: 65.061 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.684 HA :: 4.277 HB2 :: 3.722 HB3 :: 4.001 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 :: 112.118 Ave N Shift Values>> N :: 116.28(3.52) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.64 P 0.3 I 0.02 K 0.01 C Shift Assignments>> CA :: 63.223 CB :: 33.397 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 :: 4.148 HB2 :: 2.086 HB3 :: 2.253 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.G10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.09 D 0.06 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> CA :: 43.469 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.698(S) HA2 :: 3.226 HA3 :: 4.551 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.303 Ave N Shift Values>> N :: 109.67(3.87) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.01 HN Overlap>> 1.E233 1.E233 C Shift Assignments>> CA :: 59.665 CB :: 41.951 CG1 :: 28.14 CG2 :: 18.434 CD1 :: 13.679 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 :: 8.701 HA :: 5.182 HB :: 1.601 HG12 :: 1.248 HG13 :: 1.517 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 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 :: 118.815 Ave N Shift Values>> N :: 121.46(4.28) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.35 G 0.01 K 0.01 C Shift Assignments>> CA :: 49.821 CB :: 22.719 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.025 HA :: 4.971 HB1 :: 1.128 HB2 :: 1.128 HB3 :: 1.128 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.723 Ave N Shift Values>> N :: 123.23(3.54) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.295 CB :: 41.27 CG1 :: 27.631 CG2 :: 16.76 CD1 :: 14.526 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 :: 8.548 HA :: 4.914 HB :: 1.718 HG12 :: 0.943 HG13 :: 1.461 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 120.913 Ave N Shift Values>> N :: 121.46(4.28) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.807 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.707 HA2 :: 3.921 HA3 :: 4.091 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.782 Ave N Shift Values>> N :: 109.67(3.87) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 56.156 CB :: 34.225 CG :: 25.347 CD :: 29.67 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 :: 8.849 HA :: 4.56 HB2 :: 1.732 HB3 :: 1.862 HG2 :: 1.5 HG3 :: 1.5 HD2 :: 1.74 HD3 :: 1.74 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 :: 120.313 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.08 M 0.02 C Shift Assignments>> CA :: 52.551 CB :: 20.818 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.183 HA :: 4.583 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.867 Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 R 0.21 L 0.2 F 0.14 Y 0.1 D 0.07 I 0.01 C Shift Assignments>> CA :: 57.555 CB :: 42.475 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 :: 9.296 HA :: 4.617 HB2 :: 2.818 HB3 :: 2.973 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 :: 126.416 Ave N Shift Values>> N :: 120.45(4.18) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.04 R 0.02 G 0.01 C Shift Assignments>> CA :: 53.6 CB :: 41.968 CG :: 28.255 CD1 :: 23.827 CD2 :: 24.172 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 :: 7.786 HA :: 4.693 HB2 :: 1.283 HB3 :: 1.627 HG :: 1.545 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 130.549 Ave N Shift Values>> N :: 121.86(3.9) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 N 0.17 D 0.15 L 0.07 I 0.04 E 0.02 M 0.01 C Shift Assignments>> CA :: 55.93 CB :: 38.9 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 :: 9.284 HA :: 4.845 HB2 :: 2.856 HB3 :: 3.266 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 :: 129.254 Ave N Shift Values>> N :: 120.52(4.2) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.851 CB :: 70.638 CG2 :: 21.542 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 :: 7.612 HA :: 4.333 HB :: 4.107 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 117.863 Ave N Shift Values>> N :: 115.42(4.75) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> CA :: 55.479 CB :: 33.239 CG :: 24.757 CD :: 28.991 CE :: 42.343 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 :: 8.119 HA :: 4.343 HB2 :: 1.595 HB3 :: 1.831 HG2 :: 1.259 HG3 :: 1.259 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.991 HE3 :: 2.991 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 :: 122.545 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.19 Q 0.09 K 0.08 I 0.02 C Shift Assignments>> CA :: 56.227 CB :: 30.437 CG :: 36.187 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 :: 8.557 HA :: 4.202 HB2 :: 1.835 HB3 :: 1.968 HG2 :: 2.274 HG3 :: 2.274 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 :: 123.345 Ave N Shift Values>> N :: 120.67(3.48) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.02 C Shift Assignments>> CA :: 56.236 CB :: 32.766 CG :: 24.724 CD :: 29.147 CE :: 42.411 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 :: 8.453 HA :: 4.327 HB2 :: 1.75 HB3 :: 1.81 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 3.026 HE3 :: 3.026 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 :: 123.918 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.516 CB :: 33.275 CG1 :: 20.192 CG2 :: 21.965 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 :: 8.174 HA :: 4.203 HB :: 2.013 HG11 :: 0.925 HG12 :: 0.925 HG13 :: 0.925 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 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 :: 122.072 Ave N Shift Values>> N :: 121.14(4.54) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V236 1.V236 C Shift Assignments>> CA :: 61.88 CB :: 69.765 CG2 :: 21.655 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 :: 8.252 HA :: 4.323 HB :: 4.03 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 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 :: 121.382 Ave N Shift Values>> N :: 115.42(4.75) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> CA :: 59.02 CB :: 37.894 CG1 :: 27.569 CG2 :: 17.347 CD1 :: 11.419 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 :: 8.032 HA :: 4.225 HB :: 1.822 HG12 :: 1.315 HG13 :: 1.393 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 126.425 Ave N Shift Values>> N :: 121.46(4.28) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.24 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> CA :: 53.217 CB :: 39.22 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 :: 9.381 HA :: 4.695 HB2 :: 2.98 HB3 :: 3.388 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 :: 127.372 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.135 CB :: 31.238 CG1 :: 21.409 CG2 :: 18.248 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 :: 8.042 HA :: 4.529 HB :: 2.46 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 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 :: 116.892 Ave N Shift Values>> N :: 121.14(4.54) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.16 K 0.08 Q 0.07 I 0.04 HN Overlap>> 1.K242 1.K242 C Shift Assignments>> CA :: 56.552 CB :: 30.364 CG :: 36.371 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 :: 7.958 HA :: 4.306 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.358 HG3 :: 2.401 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 :: 123.105 Ave N Shift Values>> N :: 120.67(3.48) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.24 G 0.03 C Shift Assignments>> CA :: 55.739 CB :: 33.412 CG :: 25.054 CD :: 28.845 CE :: 42.616 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 :: 8.377 HA :: 4.892 HB2 :: 1.81 HB3 :: 2.056 HG2 :: 1.596 HG3 :: 1.682 HD2 :: 1.8 HD3 :: 1.8 HE2 :: 3.092 HE3 :: 3.092 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 :: 121.832 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> CA :: 59.691 CB :: 40.461 CG1 :: 25.291 CG2 :: 18.907 CD1 :: 14.681 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 :: 8.146 HA :: 4.591 HB :: 1.862 HG12 :: 0.439 HG13 :: 1.118 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 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 :: 115.977 Ave N Shift Values>> N :: 121.46(4.28) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.28 I 0.02 Q 0.02 K 0.01 HN Overlap>> 1.V144 1.V144 C Shift Assignments>> CA :: 55.911 CB :: 31.173 CG :: 36.95 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 :: 7.924 HA :: 4.418 HB2 :: 1.898 HB3 :: 2.278 HG2 :: 2.399 HG3 :: 2.399 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 :: 118.142 Ave N Shift Values>> N :: 120.67(3.48) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.43 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.082 CB :: 29.503 CG :: 36.746 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 :: 9.129 HA :: 4.019 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.454 HG3 :: 2.454 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 :: 122.512 Ave N Shift Values>> N :: 120.67(3.48) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.044 CB :: 62.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.186 HA :: 4.389 HB2 :: 4.033 HB3 :: 4.139 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 :: 111.608 Ave N Shift Values>> N :: 116.28(3.52) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.32 G 0.02 C Shift Assignments>> CA :: 55.423 CB :: 32.93 CG :: 25.129 CD :: 28.556 CE :: 42.525 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 :: 8.055 HA :: 4.688 HB2 :: 1.981 HB3 :: 2.339 HG2 :: 1.463 HG3 :: 1.634 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.054 HE3 :: 3.054 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 :: 121.281 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.262 CB :: 32.409 CG1 :: 22.16 CG2 :: 24.932 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 :: 7.43 HA :: 3.404 HB :: 2.219 HG11 :: 1.019 HG12 :: 1.019 HG13 :: 1.019 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 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 :: 122.033 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>> I 0.61 E 0.32 K 0.04 C Shift Assignments>> CA :: 60.358 CB :: 28.797 CG :: 36.909 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 :: 8.625 HA :: 4.012 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.35 HG3 :: 2.429 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 :: 117.48 Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.33 K 0.04 M 0.03 Q 0.01 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> CA :: 59.453 CB :: 29.85 CG :: 36.96 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 :: 8.066 HA :: 4.207 HB2 :: 2.251 HB3 :: 2.251 HG2 :: 2.337 HG3 :: 2.432 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 :: 120.996 Ave N Shift Values>> N :: 120.67(3.48) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.28 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> CA :: 59.515 CB :: 29.886 CG :: 36.633 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 :: 8.253 HA :: 4.183 HB2 :: 2.249 HB3 :: 2.249 HG2 :: 2.629 HG3 :: 2.629 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 :: 121.901 Ave N Shift Values>> N :: 120.67(3.48) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.M193 1.M193 1.L130 1.L130 C Shift Assignments>> CA :: 66.444 CB :: 37.809 CG1 :: 31.108 CG2 :: 17.066 CD1 :: 14.015 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 :: 8.654 HA :: 3.765 HB :: 2.035 HG12 :: 1.076 HG13 :: 2.067 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 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 :: 120.32 Ave N Shift Values>> N :: 121.46(4.28) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.27 I 0.06 C Shift Assignments>> CA :: 55.727 CB :: 17.899 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.258 HA :: 4.163 HB1 :: 1.617 HB2 :: 1.617 HB3 :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 123.23(3.54) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.Y122 1.Y122 C Shift Assignments>> CA :: 60.146 CB :: 32.722 CG :: 25.523 CD :: 30.207 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 :: 8.28 HA :: 4.076 HB2 :: 1.968 HB3 :: 2.135 HG2 :: 1.532 HG3 :: 1.853 HD2 :: 1.869 HD3 :: 1.869 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 :: 119.761 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 Y 0.26 F 0.21 E 0.02 C Shift Assignments>> CA :: 60.708 CB :: 38.317 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 :: 8.27 HA :: 4.395 HB2 :: 3.27 HB3 :: 3.538 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 :: 120.542 Ave N Shift Values>> N :: 120.45(4.18) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.13 G 0.07 L 0.01 C Shift Assignments>> CA :: 59.491 CB :: 29.331 CG :: 27.878 CD :: 42.846 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 :: 8.842 HA :: 3.441 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.72 HG3 :: 2.015 HD2 :: 2.981 HD3 :: 3.259 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 :: 118.75 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.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 58.634 CB :: 31.716 CG :: 24.487 CD :: 29.758 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 :: 8.077 HA :: 4.239 HB2 :: 1.952 HB3 :: 2.017 HG2 :: 1.547 HG3 :: 1.547 HD2 :: 1.764 HD3 :: 1.818 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 :: 119.978 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 I 0.02 C Shift Assignments>> CA :: 55.015 CB :: 18.883 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.114 HA :: 4.211 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.107 Ave N Shift Values>> N :: 123.23(3.54) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 G 0.01 C Shift Assignments>> CA :: 58.348 CB :: 41.907 CG :: 26.357 CD1 :: 23.543 CD2 :: 24.983 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 :: 8.901 HA :: 3.931 HB2 :: 1.095 HB3 :: 1.626 HG :: 1.408 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 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 :: 123.45 Ave N Shift Values>> N :: 121.86(3.9) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.34 K 0.06 Q 0.03 M 0.02 HN Overlap>> 1.L197 1.L197 1.K60 1.K60 C Shift Assignments>> CA :: 60.045 CB :: 29.738 CG :: 36.453 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 :: 7.744 HA :: 4.048 HB2 :: 2.255 HB3 :: 2.255 HG2 :: 2.256 HG3 :: 2.475 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 :: 120.804 Ave N Shift Values>> N :: 120.67(3.48) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> CA :: 66.221 CB :: 32.219 CG1 :: 20.942 CG2 :: 22.541 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 :: 8.252 HA :: 3.845 HB :: 2.108 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 119.116 Ave N Shift Values>> N :: 121.14(4.54) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E109 1.E109 C Shift Assignments>> CA :: 68.442 CB :: 68.037 CG2 :: 20.661 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 :: 8.154 HA :: 4.519 HB :: 3.809 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 118.262 Ave N Shift Values>> N :: 115.42(4.75) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 I 0.18 E 0.12 R 0.09 P 0.03 HN Overlap>> 1.I219 1.I219 C Shift Assignments>> CA :: 60.224 CB :: 27.846 CG :: 34.322 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 :: 8.581 HA :: 3.744 HB2 :: 2.072 HB3 :: 2.378 HG2 :: 2.185 HG3 :: 2.574 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 :: 120.585 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.32 K 0.08 Q 0.03 M 0.02 HN Overlap>> 1.K56 1.K56 C Shift Assignments>> CA :: 59.706 CB :: 29.547 CG :: 36.49 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 :: 7.935 HA :: 4.075 HB2 :: 2.171 HB3 :: 2.249 HG2 :: 2.267 HG3 :: 2.505 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 :: 118.956 Ave N Shift Values>> N :: 120.67(3.48) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.33 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> CA :: 59.751 CB :: 30.173 CG :: 36.967 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 :: 8.507 HA :: 4.028 HB2 :: 2.148 HB3 :: 2.411 HG2 :: 2.267 HG3 :: 2.581 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 :: 119.998 Ave N Shift Values>> N :: 120.67(3.48) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E96 1.E96 C Shift Assignments>> CA :: 65.722 CB :: 37.895 CG1 :: 29.129 CG2 :: 20.14 CD1 :: 14.767 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 :: 8.451 HA :: 3.619 HB :: 1.938 HG12 :: 1.093 HG13 :: 1.093 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 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 :: 119.509 Ave N Shift Values>> N :: 121.46(4.28) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 E 0.43 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> CA :: 60.414 CB :: 29.206 CG :: 36.221 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 :: 8.357 HA :: 4.005 HB2 :: 2.156 HB3 :: 2.287 HG2 :: 2.369 HG3 :: 2.417 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 :: 120.729 Ave N Shift Values>> N :: 120.67(3.48) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.02 HN Overlap>> 1.D120 1.E52 1.D120 1.E52 C Shift Assignments>> CA :: 59.626 CB :: 32.325 CG :: 25.538 CD :: 29.142 CE :: 42.362 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 :: 7.958 HA :: 4.101 HB2 :: 1.905 HB3 :: 2.045 HG2 :: 1.523 HG3 :: 1.705 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 3.001 HE3 :: 3.001 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 :: 118.885 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A127 1.A127 C Shift Assignments>> CA :: 65.379 CB :: 37.83 CG1 :: 29.09 CG2 :: 16.661 CD1 :: 13.508 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 :: 8.066 HA :: 3.533 HB :: 1.555 HG12 :: 0.897 HG13 :: 1.583 HG21 :: 0.061 HG22 :: 0.061 HG23 :: 0.061 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 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 :: 122.38 Ave N Shift Values>> N :: 121.46(4.28) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.07 C Shift Assignments>> CA :: 60.677 CB :: 32.12 CG :: 24.556 CD :: 29.178 CE :: 41.619 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 :: 8.571 HA :: 3.745 HB2 :: 1.791 HB3 :: 2.218 HG2 :: 1.512 HG3 :: 1.795 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.962 HE3 :: 2.962 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 :: 121.914 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.25 K 0.09 Q 0.04 M 0.03 C Shift Assignments>> CA :: 59.496 CB :: 29.736 CG :: 36.333 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 :: 7.967 HA :: 4.036 HB2 :: 2.169 HB3 :: 2.169 HG2 :: 2.312 HG3 :: 2.481 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 :: 117.934 Ave N Shift Values>> N :: 120.67(3.48) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 HN Overlap>> 1.L197 1.E48 1.L197 1.E48 C Shift Assignments>> CA :: 59.555 CB :: 32.612 CG :: 25.201 CD :: 29.56 CE :: 42.272 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 :: 7.779 HA :: 4.09 HB2 :: 1.953 HB3 :: 1.953 HG2 :: 1.444 HG3 :: 1.59 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 3.031 HE3 :: 3.031 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 :: 120.802 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 HN Overlap>> 1.N148 1.N148 C Shift Assignments>> CA :: 55.294 CB :: 18.068 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.751 HA :: 4.37 HB1 :: 1.573 HB2 :: 1.573 HB3 :: 1.573 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.63 Ave N Shift Values>> N :: 123.23(3.54) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.11 G 0.02 HN Overlap>> 1.Y239 1.Y239 C Shift Assignments>> CA :: 58.22 CB :: 42.213 CG :: 27.175 CD1 :: 23.862 CD2 :: 25.332 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 :: 8.518 HA :: 3.95 HB2 :: 1.688 HB3 :: 1.966 HG :: 1.607 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 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 :: 119.312 Ave N Shift Values>> N :: 121.86(3.9) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.L97 1.L97 C Shift Assignments>> CA :: 58.964 CB :: 33.097 CG :: 25.236 CD :: 29.317 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 :: 7.682 HA :: 4.058 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.481 HG3 :: 1.609 HD2 :: 1.732 HD3 :: 1.732 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 :: 117.438 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.21 Q 0.07 I 0.04 K 0.04 C Shift Assignments>> CA :: 58.102 CB :: 30.971 CG :: 36.154 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 :: 8.289 HA :: 4.115 HB2 :: 1.477 HB3 :: 1.717 HG2 :: 2.073 HG3 :: 2.073 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 :: 116.209 Ave N Shift Values>> N :: 120.67(3.48) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.46 C Shift Assignments>> CA :: 58.205 CB :: 42.029 CD1 :: 132.172 CD2 :: 132.172 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 :: 8.542 HA :: 4.974 HB2 :: 3.068 HB3 :: 3.431 HD1 :: 7.446 HD2 :: 7.446 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 :: 114.991 Ave N Shift Values>> N :: 120.45(4.18) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.894 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.185 HA2 :: 4.162 HA3 :: 4.776 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.65 Ave N Shift Values>> N :: 109.67(3.87) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.13 G 0.03 HN Overlap>> 1.A103 1.A103 C Shift Assignments>> CA :: 59.987 CB :: 33.002 CG :: 24.767 CD :: 29.483 CE :: 42.398 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 :: 8.602 HA :: 3.933 HB2 :: 1.876 HB3 :: 1.932 HG2 :: 1.516 HG3 :: 1.516 HD2 :: 1.742 HD3 :: 1.742 HE2 :: 3.062 HE3 :: 3.062 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 :: 119.617 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.35 K 0.04 C Shift Assignments>> CA :: 60.021 CB :: 28.823 CG :: 37.024 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 :: 9.025 HA :: 4.152 HB2 :: 2.076 HB3 :: 2.127 HG2 :: 2.402 HG3 :: 2.402 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 :: 118.113 Ave N Shift Values>> N :: 120.67(3.48) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.35 G 0.01 C Shift Assignments>> CA :: 57.211 CB :: 32.376 CG :: 25.924 CD :: 28.509 CE :: 42.225 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 :: 7.58 HA :: 4.289 HB2 :: 1.912 HB3 :: 1.912 HG2 :: 1.498 HG3 :: 1.498 HD2 :: 1.601 HD3 :: 1.601 HE2 :: 2.854 HE3 :: 3.059 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 :: 117.151 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.28 L 0.02 I 0.01 V 0.01 C Shift Assignments>> CA :: 54.886 CB :: 19.387 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.736 HA :: 4.31 HB1 :: 1.583 HB2 :: 1.583 HB3 :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.835 Ave N Shift Values>> N :: 123.23(3.54) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.29 K 0.07 M 0.02 Q 0.02 HN Overlap>> 1.E198 1.E198 C Shift Assignments>> CA :: 59.318 CB :: 29.66 CG :: 36.697 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 :: 7.974 HA :: 4.058 HB2 :: 2.083 HB3 :: 2.182 HG2 :: 2.394 HG3 :: 2.531 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 :: 116.446 Ave N Shift Values>> N :: 120.67(3.48) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.801 CB :: 37.745 CG1 :: 28.174 CG2 :: 16.08 CD1 :: 13.766 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 :: 7.306 HA :: 3.723 HB :: 1.443 HG13 :: 1.282 HG21 :: 0.051 HG22 :: 0.051 HG23 :: 0.051 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 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 :: 119.463 Ave N Shift Values>> N :: 121.46(4.28) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 C Shift Assignments>> CA :: 60.698 CB :: 38.637 CD1 :: 130.915 CD2 :: 130.915 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 :: 6.851 HA :: 4.187 HB2 :: 2.646 HB3 :: 3.219 HD1 :: 7.015 HD2 :: 7.015 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 :: 115.968 Ave N Shift Values>> N :: 120.45(4.18) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.28 K 0.12 Q 0.06 M 0.01 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> CA :: 59.631 CB :: 29.243 CG :: 36.114 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 :: 8.066 HA :: 4.204 HB2 :: 2.187 HB3 :: 2.187 HG2 :: 2.345 HG3 :: 2.422 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 :: 120.904 Ave N Shift Values>> N :: 120.67(3.48) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.3 I 0.04 C Shift Assignments>> CA :: 55.336 CB :: 17.649 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.624 HA :: 4.301 HB1 :: 1.598 HB2 :: 1.598 HB3 :: 1.598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.486 Ave N Shift Values>> N :: 123.23(3.54) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 K 0.15 R 0.11 M 0.09 H 0.09 E 0.08 P 0.05 Q 0.04 I 0.01 HN Overlap>> 1.R131 1.R131 C Shift Assignments>> CA :: 60.213 CB :: 32.138 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 :: 8.054 HA :: 4.184 HB2 :: 3.123 HB3 :: 3.568 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 :: 117.654 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.15 A 0.11 G 0.02 HN Overlap>> 1.V49 1.V49 C Shift Assignments>> CA :: 58.176 CB :: 41.801 CG :: 27.28 CD1 :: 24.984 CD2 :: 20.091 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 :: 8.224 HA :: 4.094 HB2 :: 1.873 HB3 :: 1.873 HG :: 1.806 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 1.122 HD22 :: 1.122 HD23 :: 1.122 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 :: 119.083 Ave N Shift Values>> N :: 121.86(3.9) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 HN Overlap>> 1.D182 1.R126 1.D182 1.R126 C Shift Assignments>> CA :: 58.761 CB :: 32.476 CG :: 32.099 CE :: 17.633 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 :: 7.98 HA :: 4.198 HB2 :: 2.314 HB3 :: 2.314 HG2 :: 2.671 HG3 :: 2.846 HE1 :: 1.593 HE2 :: 1.593 HE3 :: 1.593 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 :: 119.75 Ave N Shift Values>> N :: 120.09(3.57) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.29 G 0.02 HN Overlap>> 1.N207 1.N207 C Shift Assignments>> CA :: 58.084 CB :: 42.068 CG :: 26.891 CD1 :: 22.776 CD2 :: 26.659 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 :: 8.103 HA :: 4.232 HB2 :: 1.425 HB3 :: 2.112 HG :: 2.029 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 120.66 Ave N Shift Values>> N :: 121.86(3.9) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 C Shift Assignments>> CA :: 53.365 CB :: 18.339 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.099 HA :: 4.051 HB1 :: 1.462 HB2 :: 1.462 HB3 :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.09 Ave N Shift Values>> N :: 123.23(3.54) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.937 CB :: 64.281 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.289 HA :: 4.584 HB2 :: 3.944 HB3 :: 4.013 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 :: 107.587 Ave N Shift Values>> N :: 116.28(3.52) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.25 R 0.17 G 0.1 K 0.04 N 0.03 F 0.03 Y 0.01 C Shift Assignments>> CA :: 52.205 CB :: 43.017 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 :: 7.119 HA :: 4.833 HB2 :: 2.996 HB3 :: 3.073 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 :: 124.938 Ave N Shift Values>> N :: 120.65(3.86) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 I 0.01 C Shift Assignments>> CA :: 65.208 CB :: 32.496 CG :: 27.634 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 :: 4.354 HB2 :: 2.082 HB3 :: 2.483 HG2 :: 2.142 HG3 :: 2.193 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.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.41 K 0.04 M 0.01 C Shift Assignments>> CA :: 59.361 CB :: 29.505 CG :: 37.15 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 :: 8.482 HA :: 4.158 HB2 :: 2.072 HB3 :: 2.143 HG2 :: 2.274 HG3 :: 2.423 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 :: 116.987 Ave N Shift Values>> N :: 120.67(3.48) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.1 G 0.01 C Shift Assignments>> CA :: 58.482 CB :: 41.869 CG :: 27.968 CD1 :: 24.405 CD2 :: 24.95 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 :: 7.605 HA :: 4.131 HB2 :: 1.829 HB3 :: 2.213 HG :: 1.612 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 HD21 :: 1.009 HD22 :: 1.009 HD23 :: 1.009 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 :: 123.784 Ave N Shift Values>> N :: 121.86(3.9) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.526 CB :: 39.061 CG1 :: 29.884 CG2 :: 17.515 CD1 :: 13.975 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 :: 7.54 HA :: 3.672 HB :: 1.836 HG12 :: 1.056 HG13 :: 1.843 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 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 :: 118.225 Ave N Shift Values>> N :: 121.46(4.28) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.23 K 0.1 Q 0.04 M 0.03 C Shift Assignments>> CA :: 59.184 CB :: 29.596 CG :: 36.361 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 :: 8.383 HA :: 4.11 HB2 :: 2.02 HB3 :: 2.122 HG2 :: 2.34 HG3 :: 2.415 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 :: 117.287 Ave N Shift Values>> N :: 120.67(3.48) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.245 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.836 HA2 :: 3.813 HA3 :: 3.9 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.285 Ave N Shift Values>> N :: 109.67(3.87) 1.V89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.186 CB :: 32.021 CG1 :: 19.548 CG2 :: 22.901 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 :: 8.24 HA :: 3.338 HB :: 1.659 HG11 :: -0.215(S) HG12 :: -0.215(S) HG13 :: -0.215(S) HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 122.97 Ave N Shift Values>> N :: 121.14(4.54) 1.E90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 E 0.08 C Shift Assignments>> CA :: 61.5 CB :: 29.284 CG :: 38.106 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 :: 8.246 HA :: 3.68 HB2 :: 2.013 HB3 :: 2.132 HG2 :: 2.151 HG3 :: 3.078(S) 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 :: 117.959 Ave N Shift Values>> N :: 120.67(3.48) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 N 0.13 D 0.1 I 0.06 L 0.05 E 0.04 M 0.01 C Shift Assignments>> CA :: 56.389 CB :: 38.604 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 :: 8.754 HA :: 4.499 HB2 :: 2.801 HB3 :: 3 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 :: 114.869 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> CA :: 59.496 CB :: 32.175 CG :: 32.191 CE :: 17.181 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 :: 7.861 HA :: 4.17 HB2 :: 2.252 HB3 :: 2.04 HG2 :: 2.363 HG3 :: 2.438 HE1 :: 2.004 HE2 :: 2.004 HE3 :: 2.004 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 :: 122.646 Ave N Shift Values>> N :: 120.09(3.57) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.944 CB :: 39.178 CG1 :: 28.136 CG2 :: 17.093 CD1 :: 14.655 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 :: 8.052 HA :: 3.642 HB :: 1.849 HG12 :: 0.884 HG13 :: 1.681 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 119.838 Ave N Shift Values>> N :: 121.46(4.28) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.28 G 0.01 C Shift Assignments>> CA :: 59.703 CB :: 33.904 CG :: 25.675 CD :: 29.788 CE :: 42.077 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 :: 7.605 HA :: 4.087 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.551 HG3 :: 1.685 HD2 :: 1.736 HD3 :: 1.736 HE2 :: 2.938 HE3 :: 2.938 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 :: 112.987 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T181 1.T181 C Shift Assignments>> CA :: 64.757 CB :: 70.151 CG2 :: 21.703 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 :: 8.295 HA :: 4.275 HB :: 4.223 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 109.097 Ave N Shift Values>> N :: 115.42(4.75) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 M 0.15 I 0.05 K 0.04 Q 0.02 HN Overlap>> 1.I138 1.I54 1.I138 1.I54 C Shift Assignments>> CA :: 56.376 CB :: 30.415 CG :: 37.002 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 :: 8.386 HA :: 4.458 HB2 :: 1.972 HB3 :: 2.236 HG2 :: 2.197 HG3 :: 2.394 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 :: 119.544 Ave N Shift Values>> N :: 120.67(3.48) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.12 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> CA :: 55.953 CB :: 37.031 CG :: 26.964 CD1 :: 23.825 CD2 :: 26.265 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 :: 7.671 HA :: 4.11 HB2 :: 1.823 HB3 :: 2.102 HG :: 1.438 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 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 :: 117.407 Ave N Shift Values>> N :: 121.86(3.9) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 V 0.35 I 0.05 L 0.02 C Shift Assignments>> CA :: 57.82 CG1 :: 18.338 CG2 :: 22.352 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 :: 6.464 HA :: 4.792 HG11 :: 0.64 HG12 :: 0.64 HG13 :: 0.64 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 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 :: 107.246 Ave N Shift Values>> N :: 121.14(4.54) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.226 CB :: 71.231 CG2 :: 23.817 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 :: 8.818 HA :: 4.079 HB :: 4.626 HG21 :: 1.275 HG22 :: 1.275 HG23 :: 1.275 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 :: 106.461 Ave N Shift Values>> N :: 115.42(4.75) 1.A100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 M 0.36 I 0.03 V 0.03 L 0.03 C Shift Assignments>> CA :: 55.605 CB :: 19.478 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.627(S) HA :: 3.919 HB1 :: 1.683 HB2 :: 1.683 HB3 :: 1.683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.821 Ave N Shift Values>> N :: 123.23(3.54) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 D 0.16 L 0.12 N 0.07 I 0.05 K 0.01 C Shift Assignments>> CA :: 56.633 CB :: 39.756 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 :: 9.276 HA :: 4.012 HB2 :: 2.543 HB3 :: 2.543 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 :: 111.51 Ave N Shift Values>> N :: 120.65(3.86) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 Y 0.21 F 0.18 D 0.16 L 0.06 E 0.02 I 0.02 M 0.01 C Shift Assignments>> CA :: 55.184 CB :: 38.606 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 :: 7.13 HA :: 4.344 HB2 :: 2.917 HB3 :: 3.188 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 :: 119.233 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 L 0.17 M 0.14 V 0.06 T 0.03 I 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> CA :: 55.484 CB :: 20.473 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.644 HA :: 4.092 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.517 Ave N Shift Values>> N :: 123.23(3.54) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.225 CB :: 31.862 CG1 :: 22.699 CG2 :: 25.499 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 :: 8.593 HA :: 3.387 HB :: 2.017 HG11 :: 1.007 HG12 :: 1.007 HG13 :: 1.007 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 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 :: 115.354 Ave N Shift Values>> N :: 121.14(4.54) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.3 L 0.1 D 0.09 I 0.09 K 0.04 N 0.01 C Shift Assignments>> CA :: 57.844 CB :: 40.236 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 :: 7.675 HA :: 4.258 HB2 :: 2.798 HB3 :: 3.078 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 :: 116.076 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> CA :: 59.964 CB :: 33.084 CG :: 25.499 CD :: 29.261 CE :: 42.009 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 :: 8.687 HA :: 4.005 HB2 :: 1.748 HB3 :: 1.921 HG2 :: 1.438 HG3 :: 1.701 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 3.013 HE3 :: 3.013 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 :: 116.99 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.002 CB :: 31.848 CG1 :: 21.643 CG2 :: 23.305 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 :: 8.594 HA :: 3.616 HB :: 1.961 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 121.113 Ave N Shift Values>> N :: 121.14(4.54) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.516 CB :: 35.139 CG1 :: 28.416 CG2 :: 17.77 CD1 :: 10.808 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 :: 8.642 HA :: 3.694 HB :: 2.382 HG12 :: 1.433 HG13 :: 1.801 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 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 :: 120.034 Ave N Shift Values>> N :: 121.46(4.28) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.25 K 0.13 Q 0.08 M 0.02 HN Overlap>> 1.T50 1.T50 C Shift Assignments>> CA :: 59.633 CB :: 29.327 CG :: 35.957 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 :: 8.134 HA :: 4.044 HB2 :: 2.07 HB3 :: 2.208 HG2 :: 2.318 HG3 :: 2.425 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 :: 118.21 Ave N Shift Values>> N :: 120.67(3.48) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.36 E 0.1 R 0.07 I 0.05 M 0.02 HN Overlap>> 1.I138 1.I138 C Shift Assignments>> CA :: 59.152 CB :: 28.563 CG :: 33.948 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 :: 8.265 HA :: 4.105 HB2 :: 2.153 HB3 :: 2.266 HG2 :: 2.448 HG3 :: 2.511 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 :: 119.58 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 N 0.15 D 0.08 E 0.07 I 0.05 L 0.04 M 0.02 C Shift Assignments>> CA :: 56.24 CB :: 38.236 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 :: 8.412 HA :: 4.451 HB2 :: 2.666 HB3 :: 2.85 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 :: 118.795 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.06 C Shift Assignments>> CA :: 55.657 CB :: 18.092 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.339 HA :: 4.166 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.457 Ave N Shift Values>> N :: 123.23(3.54) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V183 1.V183 C Shift Assignments>> CA :: 62.047 CB :: 62.802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.107 HA :: 4.36 HB2 :: 4.061 HB3 :: 4.061 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 :: 112.72 Ave N Shift Values>> N :: 116.28(3.52) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.491 CB :: 31.853 CG1 :: 20.995 CG2 :: 22.673 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 :: 7.556 HA :: 3.774 HB :: 2.22 HG11 :: 0.972 HG12 :: 0.972 HG13 :: 0.972 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 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 :: 122.471 Ave N Shift Values>> N :: 121.14(4.54) 1.M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 C Shift Assignments>> CA :: 60.096 CB :: 34.054 CG :: 33.099 CE :: 17.708 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 :: 7.681 HA :: 3.997 HB2 :: 2.235 HB3 :: 2.352 HG2 :: 2.588 HG3 :: 2.843 HE1 :: 2.051 HE2 :: 2.051 HE3 :: 2.051 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 :: 119.619 Ave N Shift Values>> N :: 120.09(3.57) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.24 K 0.07 M 0.03 Q 0.02 C Shift Assignments>> CA :: 58.377 CB :: 29.563 CG :: 36.912 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 :: 8.191 HA :: 3.999 HB2 :: 2.065 HB3 :: 2.246 HG2 :: 2.366 HG3 :: 2.461 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 :: 115.059 Ave N Shift Values>> N :: 120.67(3.48) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.826 CB :: 64.173 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.795 HA :: 4.528 HB2 :: 4.097 HB3 :: 4.097 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 :: 114.658 Ave N Shift Values>> N :: 116.28(3.52) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.16 A 0.08 G 0.02 C Shift Assignments>> CA :: 55.396 CB :: 42.253 CG :: 26.76 CD1 :: 22.611 CD2 :: 26.141 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 :: 7.064 HA :: 4.38 HB2 :: 1.685 HB3 :: 1.875 HG :: 1.951 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.976 HD22 :: 0.976 HD23 :: 0.976 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 :: 121.623 Ave N Shift Values>> N :: 121.86(3.9) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 Y 0.12 F 0.09 E 0.08 D 0.08 M 0.04 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.03 CB :: 37.627 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 :: 8.228 HA :: 4.519 HB2 :: 2.783 HB3 :: 3.078 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 :: 116.322 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.32 R 0.15 D 0.08 F 0.02 Y 0.01 HN Overlap>> 1.K56 1.K56 C Shift Assignments>> CA :: 53.544 CB :: 44.295 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 :: 7.861 HA :: 4.878 HB2 :: 2.538 HB3 :: 2.738 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 :: 118.844 Ave N Shift Values>> N :: 120.65(3.86) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.32 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> CA :: 60.195 CB :: 29.721 CG :: 36.205 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 :: 9.184 HA :: 4 HB2 :: 2.089 HB3 :: 2.089 HG2 :: 2.36 HG3 :: 2.36 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 :: 127.584 Ave N Shift Values>> N :: 120.67(3.48) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.23 F 0.17 E 0.05 V 0.01 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> CA :: 61.017 CB :: 37.712 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 :: 8.271 HA :: 4.419 HB2 :: 3.238 HB3 :: 3.238 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 :: 119.83 Ave N Shift Values>> N :: 120.52(4.2) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.3 A 0.01 G 0.01 C Shift Assignments>> CA :: 57.212 CB :: 41.91 CG :: 27.416 CD1 :: 22.91 CD2 :: 26.546 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 :: 8.071 HA :: 4.04 HB2 :: 1.564 HB3 :: 1.884 HG :: 1.784 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 1.065 HD22 :: 1.065 HD23 :: 1.065 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 :: 120.407 Ave N Shift Values>> N :: 121.86(3.9) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.32 G 0.03 HN Overlap>> 1.E237 1.E237 C Shift Assignments>> CA :: 60.364 CB :: 32.279 CG :: 25.717 CD :: 29.59 CE :: 42.445 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 :: 8.041 HA :: 3.937 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 1.522 HG3 :: 1.67 HD2 :: 1.774 HD3 :: 1.774 HE2 :: 3.061 HE3 :: 3.061 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 :: 119.265 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.3 K 0.1 Q 0.04 M 0.01 C Shift Assignments>> CA :: 59.159 CB :: 29.055 CG :: 36.421 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 :: 7.584 HA :: 4.115 HB2 :: 2.156 HB3 :: 2.156 HG2 :: 2.326 HG3 :: 2.544 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 :: 118.567 Ave N Shift Values>> N :: 120.67(3.48) 1.R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.21 K 0.02 HN Overlap>> 1.M78 1.D182 1.E247 1.M78 1.D182 1.E247 C Shift Assignments>> CA :: 58.442 CB :: 30.514 CG :: 26.832 CD :: 43.818 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 :: 7.909 HA :: 4.237 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 1.625 HG3 :: 1.625 HD2 :: 3.17 HD3 :: 3.17 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 :: 119.775 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.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.41 I 0.03 V 0.02 L 0.01 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> CA :: 55.575 CB :: 19.207 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.034 HA :: 4.058 HB1 :: 1.674 HB2 :: 1.674 HB3 :: 1.674 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.311 Ave N Shift Values>> N :: 123.23(3.54) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.49 CB :: 31.734 CG1 :: 21.582 CG2 :: 22.527 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 :: 7.296 HA :: 3.607 HB :: 2.36 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 117.954 Ave N Shift Values>> N :: 121.14(4.54) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.13 D 0.1 K 0.1 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.701 CB :: 40.665 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 :: 7.466 HA :: 4.195 HB2 :: 2.113 HB3 :: 2.782 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 :: 120.794 Ave N Shift Values>> N :: 120.65(3.86) 1.L130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 G 0.16 R 0.11 L 0.03 V 0.01 HN Overlap>> 1.M193 1.I40 1.M193 1.I40 C Shift Assignments>> CA :: 58.157 CB :: 41.832 CG :: 27.03 CD1 :: 18.051(S) CD2 :: 23.865 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 :: 8.64 HA :: 3.941 HB2 :: 1.581 HB3 :: 2.001 HG :: 1.02 HD11 :: 1.465 HD12 :: 1.465 HD13 :: 1.465 HD21 :: 1.003 HD22 :: 1.003 HD23 :: 1.003 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 :: 120.425 Ave N Shift Values>> N :: 121.86(3.9) 1.R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 P 0.14 K 0.13 HN Overlap>> 1.H76 1.H76 C Shift Assignments>> CA :: 60.513 CB :: 29.721 CG :: 27.074 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 :: 8.03 HA :: 3.945 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 1.744 HG3 :: 1.744 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 :: 117.69 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.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.22 Y 0.17 L 0.15 D 0.07 R 0.05 I 0.03 C Shift Assignments>> CA :: 57.921 CB :: 41.607 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 :: 7.969 HA :: 4.504 HB2 :: 2.899 HB3 :: 2.899 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 :: 121.748 Ave N Shift Values>> N :: 120.65(3.86) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> CA :: 67.305 CB :: 31.875 CG1 :: 24.068 CG2 :: 20.876 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 :: 8.488 HA :: 3.692 HB :: 2.22 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 0.912 HG22 :: 0.912 HG23 :: 0.912 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 :: 121.68 Ave N Shift Values>> N :: 121.14(4.54) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 G 0.19 A 0.16 N 0.06 D 0.01 L 0.01 C Shift Assignments>> CA :: 48.446 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.061 HA2 :: 3.578 HA3 :: 3.838 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.809 Ave N Shift Values>> N :: 109.67(3.87) 1.N135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.3 D 0.09 I 0.08 N 0.07 L 0.06 E 0.02 M 0.01 C Shift Assignments>> CA :: 56.942 CB :: 38.879 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 :: 8.269 HA :: 4.485 HB2 :: 2.969 HB3 :: 2.969 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 :: 118.786 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.27 P 0.06 M 0.03 Q 0.01 C Shift Assignments>> CA :: 59.728 CB :: 30.544 CG :: 27.947 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 :: 7.94 HA :: 4.151 HB2 :: 2.066 HB3 :: 2.12 HG2 :: 1.723 HG3 :: 1.953 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 :: 120.819 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.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E155 1.E155 C Shift Assignments>> CA :: 66.189 CB :: 38.47 CG1 :: 29.306 CG2 :: 18.289 CD1 :: 14.535 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 :: 8.422 HA :: 3.855 HB :: 2.22 HG12 :: 0.937 HG13 :: 2.384 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 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 :: 119.021 Ave N Shift Values>> N :: 121.46(4.28) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q110 1.E96 1.Q110 1.E96 C Shift Assignments>> CA :: 66.684 CG1 :: 30.576 CG2 :: 18.762 CD1 :: 13.749 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 :: 8.341 HA :: 3.63 HG12 :: 1.019 HG13 :: 1.976 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 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 :: 119.631 Ave N Shift Values>> N :: 121.46(4.28) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 E 0.13 K 0.01 C Shift Assignments>> CA :: 61.259 CB :: 28.893 CG :: 37.581 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 :: 8.761 HA :: 3.813 HB2 :: 2.223 HB3 :: 2.223 HG2 :: 2.048 HG3 :: 2.77 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 :: 119.816 Ave N Shift Values>> N :: 120.67(3.48) 1.N140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 N 0.15 D 0.1 I 0.05 E 0.05 L 0.04 M 0.02 HN Overlap>> 1.S196 1.S196 C Shift Assignments>> CA :: 56.234 CB :: 38.424 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 :: 7.981 HA :: 4.842 HB2 :: 2.635 HB3 :: 2.883 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 :: 116.011 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.29 G 0.13 C Shift Assignments>> CA :: 58.074 CB :: 43.372 CG :: 27.096 CD1 :: 25.601 CD2 :: 26.269 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 :: 8.799 HA :: 4.175 HB2 :: 1.638 HB3 :: 2.327 HG :: 1.798 HD11 :: 1.025 HD12 :: 1.025 HD13 :: 1.025 HD21 :: 0.938 HD22 :: 0.938 HD23 :: 0.938 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 :: 124.457 Ave N Shift Values>> N :: 121.86(3.9) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.24 G 0.1 C Shift Assignments>> CA :: 55.271 CB :: 42.859 CG :: 27.426 CD1 :: 20.656 CD2 :: 22.197 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 :: 8.214 HA :: 4.453 HB2 :: 1.74 HB3 :: 1.74 HG :: 1.885 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.938 HD22 :: 0.938 HD23 :: 0.938 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 :: 116.993 Ave N Shift Values>> N :: 121.86(3.9) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.868 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.001 HA2 :: 4 HA3 :: 4.07 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.305 Ave N Shift Values>> N :: 109.67(3.87) 1.V144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> CA :: 61.215 CB :: 33.891 CG1 :: 20.648 CG2 :: 21.214 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 :: 7.884 HA :: 4.235 HB :: 1.957 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 118.122 Ave N Shift Values>> N :: 121.14(4.54) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.16 A 0.01 C Shift Assignments>> CA :: 55.013 CB :: 33.294 CG :: 24.134 CD :: 28.679 CE :: 41.876 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 :: 8.316 HA :: 4.59 HB2 :: 1.733 HB3 :: 1.829 HG2 :: 1.476 HG3 :: 1.476 HD2 :: 1.779 HD3 :: 1.779 HE2 :: 3.08 HE3 :: 3.08 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 :: 124.364 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K243 1.K243 C Shift Assignments>> CA :: 58.632 CB :: 64.332 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.712 HA :: 4.636 HB2 :: 3.977 HB3 :: 3.977 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 :: 121.323 Ave N Shift Values>> N :: 116.28(3.52) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V133 1.V133 C Shift Assignments>> CA :: 62.635 CB :: 33.069 CG1 :: 20.725 CG2 :: 21.543 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 :: 8.465 HA :: 4.322 HB :: 2.364 HG11 :: 1.195 HG12 :: 1.195 HG13 :: 1.195 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 121.689 Ave N Shift Values>> N :: 121.14(4.54) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.22 N 0.18 K 0.07 F 0.05 Y 0.04 R 0.01 HN Overlap>> 1.A61 1.A61 C Shift Assignments>> CA :: 52.633 CB :: 41.287 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 :: 8.695 HA :: 5.313 HB2 :: 2.994 HB3 :: 2.994 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 :: 121.604 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 A 0.01 C Shift Assignments>> CA :: 55.633 CB :: 41.507 CG :: 26.692 CD1 :: 23.891 CD2 :: 25.38 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 :: 8.829 HA :: 4.167 HB2 :: 1.402 HB3 :: 1.62 HG :: 1.172 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.474 HD22 :: 0.474 HD23 :: 0.474 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 :: 119.412 Ave N Shift Values>> N :: 121.86(3.9) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.421 CB :: 64.153 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.626 HA :: 4.437 HB2 :: 3.905 HB3 :: 3.982 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 :: 116.017 Ave N Shift Values>> N :: 116.28(3.52) 1.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.09 Y 0.07 R 0.01 C Shift Assignments>> CA :: 54.078 CB :: 41.16 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 :: 7.901 HA :: 4.873 HB2 :: 2.728 HB3 :: 2.959 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 :: 120.659 Ave N Shift Values>> N :: 120.65(3.86) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 R 0.23 A 0.19 G 0.16 C Shift Assignments>> CA :: 55.737 CB :: 43.361 CG :: 26.555 CD1 :: 21.601 CD2 :: 26.2 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 :: 6.364 HA :: 4.058 HB2 :: 1.305 HB3 :: 1.48 HG :: 1.506 HD11 :: 0.07 HD12 :: 0.07 HD13 :: 0.07 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 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 :: 117.759 Ave N Shift Values>> N :: 121.86(3.9) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.43 Q 0.03 C Shift Assignments>> CA :: 56.141 CB :: 32.091 CG :: 36.374 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 :: 8.754 HA :: 4.462 HB2 :: 1.934 HB3 :: 2.245 HG2 :: 2.277 HG3 :: 2.415 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 :: 120.251 Ave N Shift Values>> N :: 120.67(3.48) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.18 Q 0.11 C Shift Assignments>> CA :: 54.356 CB :: 32.754 CG :: 35.123 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 :: 7.724 HA :: 4.556 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.069 HG3 :: 2.191 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 :: 117.798 Ave N Shift Values>> N :: 120.67(3.48) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.1 K 0.09 M 0.06 Q 0.03 HN Overlap>> 1.I137 1.I137 C Shift Assignments>> CA :: 56.684 CB :: 29.662 CG :: 36.858 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 :: 8.389 HA :: 4.854 HB2 :: 1.835 HB3 :: 2.035 HG2 :: 2.406 HG3 :: 2.493 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 :: 118.977 Ave N Shift Values>> N :: 120.67(3.48) 1.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 A 0.13 V 0.04 C Shift Assignments>> CA :: 59.327 CB :: 37.866 CG1 :: 18.014 CG2 :: 22.642 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 :: 8.808 HA :: 5.219 HB :: 2.249 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 115.5 Ave N Shift Values>> N :: 121.14(4.54) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.008 CB :: 32.776 CG1 :: 21.434 CG2 :: 21.707 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 :: 8.774 HA :: 3.945 HB :: 1.487 HG11 :: 0.505 HG12 :: 0.505 HG13 :: 0.505 HG21 :: 0.463 HG22 :: 0.463 HG23 :: 0.463 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 :: 121.029 Ave N Shift Values>> N :: 121.14(4.54) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.102 CB :: 32.585 CG1 :: 21.453 CG2 :: 23.508 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 :: 8.181 HA :: 4.504 HB :: 2.296 HG11 :: 1.106 HG12 :: 1.106 HG13 :: 1.106 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 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 :: 128.071 Ave N Shift Values>> N :: 121.14(4.54) 1.I159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.09 C Shift Assignments>> CA :: 57.939 CB :: 37.459 CG1 :: 27.278 CG2 :: 19.099 CD1 :: 12.023 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 :: 9.081 HA :: 5.38 HB :: 2.075 HG12 :: 1.248 HG13 :: 1.609 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 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 :: 129.545 Ave N Shift Values>> N :: 121.46(4.28) 1.A160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 L 0.22 K 0.05 R 0.01 C Shift Assignments>> CA :: 50.283 CB :: 24.971 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.398 HA :: 5.023 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.157 Ave N Shift Values>> N :: 123.23(3.54) 1.R161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.13 K 0.1 HN Overlap>> 1.H189 1.H189 C Shift Assignments>> CA :: 59.932 CB :: 30.092 CG :: 27.897 CD :: 43.257 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 :: 9.412 HA :: 4.332 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.257 HD3 :: 3.404 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 :: 122.67 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.D162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.28 R 0.14 D 0.11 F 0.01 C Shift Assignments>> CA :: 52.379 CB :: 43.963 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 :: 7.437 HA :: 4.653 HB2 :: 2.442 HB3 :: 2.788 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 :: 110.218 Ave N Shift Values>> N :: 120.65(3.86) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 A 0.21 L 0.06 C Shift Assignments>> CA :: 54.057 CB :: 45.197 CG :: 25.001 CD1 :: 21.87 CD2 :: 25.834 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 :: 7.786 HA :: 5.162 HB2 :: 1.89 HB3 :: 1.89 HG :: 0.773 HD11 :: 1.233 HD12 :: 1.233 HD13 :: 1.233 HD21 :: 0.24 HD22 :: 0.24 HD23 :: 0.24 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 :: 118.965 Ave N Shift Values>> N :: 121.86(3.9) 1.T164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 T 0.41 L 0.1 A 0.06 C Shift Assignments>> CG2 :: 21.862 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 :: 9.604 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 115.36 Ave N Shift Values>> N :: 115.42(4.75) 1.P165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.27 V 0.23 P 0.18 T 0.17 I 0.12 C Shift Assignments>> CA :: 64.829 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 :: 4.061 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.S166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.76 CB :: 62.621 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 4.14 HB2 :: 3.814 HB3 :: 3.866 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 :: 111.275 Ave N Shift Values>> N :: 116.28(3.52) 1.D167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.24 F 0.1 G 0.08 Y 0.06 K 0.05 D 0.04 C Shift Assignments>> CA :: 57.604 CB :: 43.577 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 :: 7.894 HA :: 4.583 HB2 :: 2.521 HB3 :: 3.303 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 :: 120.16 Ave N Shift Values>> N :: 120.65(3.86) 1.T168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.22 CB :: 69.165 CG2 :: 21.864 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 :: 7.829 HA :: 4.232 HB :: 4.453 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 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 :: 105.889 Ave N Shift Values>> N :: 115.42(4.75) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.26 L 0.06 V 0.04 I 0.02 T 0.01 C Shift Assignments>> CA :: 55.445 CB :: 19.862 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.774 HA :: 4.137 HB1 :: 1.568 HB2 :: 1.568 HB3 :: 1.568 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.285 Ave N Shift Values>> N :: 123.23(3.54) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.702 CB :: 68.971 CG2 :: 22.365 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 :: 7.318 HA :: 4.293 HB :: 4.493 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 :: 100.882 Ave N Shift Values>> N :: 115.42(4.75) 1.M171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.32 C Shift Assignments>> CA :: 55.624 CB :: 34.977 CG :: 31.558 CE :: 18.167 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 :: 7.063 HA :: 3.68 HB2 :: 1.845 HB3 :: 2.09 HG2 :: 2.169 HG3 :: 2.616 HE1 :: 2.113 HE2 :: 2.113 HE3 :: 2.113 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 :: 120.269 Ave N Shift Values>> N :: 120.09(3.57) 1.K172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 55.172 CB :: 31.037 CG :: 25.429 CD :: 29.568 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 :: 7.656 HA :: 4.588 HB2 :: 1.734 HB3 :: 1.908 HG2 :: 1.439 HG3 :: 1.495 HD2 :: 1.851 HD3 :: 1.851 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 :: 125.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.06 G 0.02 C Shift Assignments>> CA :: 60.381 CB :: 32.796 CG :: 24.367 CD :: 29.815 CE :: 42.174 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 :: 8.063 HA :: 3.763 HB2 :: 1.825 HB3 :: 1.981 HG2 :: 1.535 HG3 :: 1.535 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.039 HE3 :: 3.039 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 :: 127.049 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.36 K 0.09 Q 0.03 C Shift Assignments>> CA :: 58.945 CB :: 28.58 CG :: 36.607 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 :: 9.912 HA :: 4.215 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 2.336 HG3 :: 2.336 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 :: 118.955 Ave N Shift Values>> N :: 120.67(3.48) 1.M175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.34 C Shift Assignments>> CA :: 53.733 CB :: 33.556 CG :: 33.207 CE :: 18.792 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 :: 7.682 HA :: 4.604 HB2 :: 2.102 HB3 :: 2.47 HG2 :: 1.856 HG3 :: 1.856 HE1 :: 1.919 HE2 :: 1.919 HE3 :: 1.919 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 :: 115.03 Ave N Shift Values>> N :: 120.09(3.57) 1.V176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V212 1.V212 C Shift Assignments>> CA :: 62.799 CB :: 32.21 CG1 :: 22.162 CG2 :: 20.902 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 :: 7.159 HA :: 4.26 HB :: 1.867 HG11 :: 0.409 HG12 :: 0.409 HG13 :: 0.409 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 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 :: 118.046 Ave N Shift Values>> N :: 121.14(4.54) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.3 A 0.22 R 0.14 HN Overlap>> 1.L2 1.L2 C Shift Assignments>> CA :: 54.956 CB :: 44.02 CG :: 26.812 CD1 :: 21.732 CD2 :: 26.202 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 :: 9.031 HA :: 4.245 HB2 :: 1.308 HB3 :: 1.308 HG :: 1.505 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 124.321 Ave N Shift Values>> N :: 121.86(3.9) 1.G178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.931 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.957 HA2 :: 3.452 HA3 :: 4.134 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.818 Ave N Shift Values>> N :: 109.67(3.87) 1.F179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 F 0.12 Y 0.07 HN Overlap>> 1.I199 1.I199 C Shift Assignments>> CA :: 55.436 CB :: 45.031 CD1 :: 132.084 CD2 :: 132.084 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 :: 8.058 HA :: 5.983 HB2 :: 2.545 HB3 :: 2.819 HD1 :: 7.015 HD2 :: 7.015 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 :: 115.043 Ave N Shift Values>> N :: 120.45(4.18) 1.A180 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.88 L 0.1 C Shift Assignments>> CA :: 50.979 CB :: 21.431 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.766 HA :: 5.827(S) HB1 :: 1.182 HB2 :: 1.182 HB3 :: 1.182 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.866 Ave N Shift Values>> N :: 123.23(3.54) 1.T181 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.94 A 0.05 HN Overlap>> 1.T95 1.T95 C Shift Assignments>> CA :: 58.325 CB :: 71.98 CG2 :: 21.354 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 :: 8.294 HA :: 6.285(S) HB :: 4.473 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 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 :: 108.991 Ave N Shift Values>> N :: 115.42(4.75) 1.D182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 L 0.21 F 0.14 R 0.12 D 0.11 Y 0.1 I 0.01 HN Overlap>> 1.M78 1.M78 1.E247 1.R126 1.E247 1.R126 C Shift Assignments>> CA :: 56.959 CB :: 42.066 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 :: 7.899 HA :: 4.492 HB2 :: 2.829 HB3 :: 3.113 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 :: 119.754 Ave N Shift Values>> N :: 120.65(3.86) 1.V183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.S113 1.S113 C Shift Assignments>> CA :: 60.048 CB :: 33.69 CG1 :: 19.037 CG2 :: 21.381 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 :: 8.064 HA :: 4.96 HB :: 2.445 HG11 :: 1.037 HG12 :: 1.037 HG13 :: 1.037 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 112.715 Ave N Shift Values>> N :: 121.14(4.54) 1.G184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.19 R 0.07 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.755 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.516 HA2 :: 3.937 HA3 :: 4.633 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.374 Ave N Shift Values>> N :: 109.67(3.87) 1.G185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.211 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.894 HA2 :: 3.96 HA3 :: 4.311 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.545 Ave N Shift Values>> N :: 109.67(3.87) 1.R186 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 60.524 CB :: 68.557 CG2 :: 21.709 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>> HA :: 4.517 HB :: 4.683 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 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) 1.S188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.759 CB :: 64.854 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.447 HA :: 4.518 HB2 :: 4.394 HB3 :: 4.394 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 :: 117.309 Ave N Shift Values>> N :: 116.28(3.52) 1.H189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 K 0.1 E 0.09 P 0.06 Q 0.06 H 0.06 R 0.05 V 0.03 HN Overlap>> 1.R161 1.R161 C Shift Assignments>> CA :: 60.922 CB :: 28.598 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 :: 9.306 HA :: 4.22 HB2 :: 3.348 HB3 :: 3.348 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 :: 122.699 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.408 CB :: 68.746 CG2 :: 21.919 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 :: 8.45 HA :: 2.93 HB :: 3.766 HG21 :: 0.554 HG22 :: 0.554 HG23 :: 0.554 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 :: 113.253 Ave N Shift Values>> N :: 115.42(4.75) 1.A191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 L 0.19 M 0.13 V 0.07 T 0.03 I 0.01 C Shift Assignments>> CA :: 55.518 CB :: 20.542 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.091 HA :: 3.545 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.408 Ave N Shift Values>> N :: 123.23(3.54) 1.I192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E244 1.E244 C Shift Assignments>> CA :: 64.836 CB :: 38.373 CG1 :: 28.999 CG2 :: 17.232 CD1 :: 13.132 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 :: 8.027 HA :: 3.544 HB :: 1.797 HG12 :: 1.186 HG13 :: 1.595 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 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 :: 117.838 Ave N Shift Values>> N :: 121.46(4.28) 1.M193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.07 HN Overlap>> 1.I40 1.L130 1.I40 1.L130 C Shift Assignments>> CA :: 57.035 CB :: 30.437 CG :: 31.873 CE :: 16.736 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 :: 8.638 HA :: 4.21 HB2 :: 1.555 HB3 :: 1.64 HG2 :: 2.181 HG3 :: 2.253 HE1 :: 1.743 HE2 :: 1.743 HE3 :: 1.743 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 :: 120.349 Ave N Shift Values>> N :: 120.09(3.57) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.3 I 0.08 V 0.03 C Shift Assignments>> CA :: 56.254 CB :: 18.864 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.522 HA :: 3.891 HB1 :: 1.599 HB2 :: 1.599 HB3 :: 1.599 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.39 Ave N Shift Values>> N :: 123.23(3.54) 1.R195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 R 0.2 K 0.03 C Shift Assignments>> CA :: 60.259 CB :: 30.797 CG :: 29.632 CD :: 44.183 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 :: 8.315 HA :: 4.329 HB2 :: 1.896 HB3 :: 2.075 HG2 :: 1.781 HG3 :: 2.332 HD2 :: 3.539 HD3 :: 3.539 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 :: 116.503 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.S196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N140 1.N140 C Shift Assignments>> CA :: 61.684 CB :: 63.257 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.947 HA :: 4.362 HB2 :: 4.115 HB3 :: 4.115 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 :: 116.005 Ave N Shift Values>> N :: 116.28(3.52) 1.L197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 R 0.21 G 0.12 A 0.06 HN Overlap>> 1.E48 1.K60 1.E48 1.K60 C Shift Assignments>> CA :: 54.967 CB :: 43.351 CG :: 26.915 CD1 :: 22.87 CD2 :: 26.241 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 :: 7.744 HA :: 4.39 HB2 :: 1.698 HB3 :: 1.698 HG :: 1.898 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 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 :: 120.73 Ave N Shift Values>> N :: 121.86(3.9) 1.E198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.33 L 0.06 K 0.02 Q 0.01 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> CA :: 57.577 CB :: 26.977 CG :: 37.291 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 :: 7.897 HA :: 3.953 HB2 :: 2.198 HB3 :: 2.346 HG2 :: 2.232 HG3 :: 2.232 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 :: 116.515 Ave N Shift Values>> N :: 120.67(3.48) 1.I199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.05 HN Overlap>> 1.F179 1.F179 C Shift Assignments>> CA :: 58.095 CB :: 39.932 CG1 :: 25.137 CG2 :: 17.297 CD1 :: 13.844 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 :: 8.056 HA :: 4.831 HB :: 1.731 HG12 :: 0.989 HG13 :: 1.29 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.364 HD12 :: 0.364 HD13 :: 0.364 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 :: 114.994 Ave N Shift Values>> N :: 121.46(4.28) 1.P200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 P 0.24 K 0.04 Q 0.02 I 0.01 R 0.01 M 0.01 H 0.01 C Shift Assignments>> CA :: 62.113 CB :: 33.218 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 :: 4.27 HB2 :: 1.469 HB3 :: 1.806 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.A201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.47 K 0.02 C Shift Assignments>> CA :: 51.167 CB :: 22.709 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.262 HA :: 5.614 HB1 :: 1.13 HB2 :: 1.13 HB3 :: 1.13 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.554 Ave N Shift Values>> N :: 123.23(3.54) 1.V202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.614 CB :: 34.242 CG1 :: 21.617 CG2 :: 23.513 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 :: 8.063 HA :: 4.709 HB :: 1.638 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 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 :: 123.186 Ave N Shift Values>> N :: 121.14(4.54) 1.V203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 V 0.32 I 0.01 C Shift Assignments>> CA :: 57.642 CB :: 34.239 CG1 :: 17.999 CG2 :: 20.265 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 :: 8.268 HA :: 5.334 HB :: 2.276 HG11 :: 0.536 HG12 :: 0.536 HG13 :: 0.536 HG21 :: 0.7 HG22 :: 0.7 HG23 :: 0.7 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 :: 115.914 Ave N Shift Values>> N :: 121.14(4.54) 1.G204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 G 0.24 A 0.15 N 0.05 D 0.01 L 0.01 C Shift Assignments>> CA :: 48.361 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.787 HA2 :: 3.84 HA3 :: 3.84 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.771 Ave N Shift Values>> N :: 109.67(3.87) 1.L205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.14 L 0.1 K 0.05 C Shift Assignments>> CA :: 57.16 CB :: 43.483 CG :: 28.653 CD1 :: 24.979 CD2 :: 27.842 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 :: 8.209 HA :: 4.136 HB2 :: 1.603 HB3 :: 1.811 HG :: 1.338 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 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 :: 117.391 Ave N Shift Values>> N :: 121.86(3.9) 1.G206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> CA :: 47.431 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.276 HA2 :: 3.491 HA3 :: 4.513 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.09 Ave N Shift Values>> N :: 109.67(3.87) 1.N207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.09 Y 0.06 F 0.05 M 0.02 E 0.02 L 0.02 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> CA :: 52.57 CB :: 37.878 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 :: 8.117 HA :: 4.853 HB2 :: 2.705 HB3 :: 3.044 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 :: 120.614 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.7 CB :: 31.807 CG1 :: 19.157 CG2 :: 22.934 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 :: 7.767 HA :: 3.815 HB :: 1.9 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 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 :: 123.524 Ave N Shift Values>> N :: 121.14(4.54) 1.T209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.658 CB :: 69.431 CG2 :: 21.459 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 :: 9.347 HA :: 3.709 HB :: 4.206 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 112.344 Ave N Shift Values>> N :: 115.42(4.75) 1.S210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.143 CB :: 64.328 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.316 HA :: 4.709 HB2 :: 3.959 HB3 :: 3.959 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 :: 113.221 Ave N Shift Values>> N :: 116.28(3.52) 1.Q211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 M 0.35 E 0.15 K 0.12 C Shift Assignments>> CA :: 56.418 CB :: 30.907 CG :: 34.073 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 :: 7.543 HA :: 4.434 HB2 :: 1.717 HB3 :: 2.39 HG2 :: 2.32 HG3 :: 2.32 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 :: 118.734 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 K 0.16 I 0.01 HN Overlap>> 1.V176 1.V176 C Shift Assignments>> CA :: 61.013 CB :: 34.322 CG2 :: 23.168 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 :: 7.182 HA :: 4.232 HB :: 1.791 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 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 :: 118.114 Ave N Shift Values>> N :: 121.14(4.54) 1.K213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 R 0.03 A 0.02 C Shift Assignments>> CA :: 53.711 CB :: 34.487 CG :: 24.333 CD :: 28.867 CE :: 41.456 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 :: 8.815 HA :: 4.488 HB2 :: 1.71 HB3 :: 1.772 HG2 :: 1.369 HG3 :: 1.423 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.471 HE3 :: 2.665 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 :: 125.148 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.35 I 0.01 C Shift Assignments>> CA :: 53.895 CB :: 18.201 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.535 HA :: 3.815 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.901 Ave N Shift Values>> N :: 123.23(3.54) 1.G215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.536 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.88 HA2 :: 3.545 HA3 :: 4.538 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.306 Ave N Shift Values>> N :: 109.67(3.87) 1.D216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.19 F 0.13 Y 0.09 N 0.03 R 0.03 C Shift Assignments>> CA :: 55.555 CB :: 41.485 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 :: 8.093 HA :: 4.635 HB2 :: 2.487 HB3 :: 2.681 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 :: 121.971 Ave N Shift Values>> N :: 120.65(3.86) 1.L217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 R 0.24 G 0.09 A 0.04 C Shift Assignments>> CA :: 54.883 CB :: 43.206 CG :: 27.496 CD1 :: 23.09 CD2 :: 25.857 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 :: 8.13 HA :: 4.536 HB2 :: 1.594 HB3 :: 1.872 HG :: 1.339 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 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 :: 123.055 Ave N Shift Values>> N :: 121.86(3.9) 1.V218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 A 0.02 C Shift Assignments>> CA :: 59.235 CB :: 36.131 CG1 :: 21.124 CG2 :: 22.961 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 :: 9.131 HA :: 5.204 HB :: 1.807 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 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 :: 121.968 Ave N Shift Values>> N :: 121.14(4.54) 1.I219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q51 1.Q51 C Shift Assignments>> CA :: 59.753 CB :: 40.902 CG1 :: 28.091 CG2 :: 15.616 CD1 :: 15.112 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 :: 8.512 HA :: 4.832 HB :: 1.29 HG12 :: 1.444 HG13 :: 1.444 HG21 :: 0.093 HG22 :: 0.093 HG23 :: 0.093 HD11 :: 0.58 HD12 :: 0.58 HD13 :: 0.58 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 :: 120.63 Ave N Shift Values>> N :: 121.46(4.28) 1.V220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.491 CB :: 33.931 CG1 :: 21.586 CG2 :: 22.185 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 :: 9.231 HA :: 4.243 HB :: 1.906 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 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 :: 125.98 Ave N Shift Values>> N :: 121.14(4.54) 1.D221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 L 0.2 N 0.2 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> CA :: 52.487 CB :: 41.198 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 :: 8.97 HA :: 5.201 HB2 :: 2.266 HB3 :: 3.298 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 :: 125.813 Ave N Shift Values>> N :: 120.65(3.86) 1.G222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> CA :: 45.725 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.158 HA2 :: 3.973 HA3 :: 4.351 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.117 Ave N Shift Values>> N :: 109.67(3.87) 1.L223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> CA :: 56.931 CB :: 41.082 CG :: 27.913 CD1 :: 23.754 CD2 :: 24.864 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 :: 8.895 HA :: 4.434 HB2 :: 1.665 HB3 :: 2.259 HG :: 1.418 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 120.493 Ave N Shift Values>> N :: 121.86(3.9) 1.E224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.36 Q 0.03 K 0.01 I 0.01 C Shift Assignments>> CA :: 55.909 CB :: 31.586 CG :: 36.578 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 :: 8.2 HA :: 4.384 HB2 :: 1.736 HB3 :: 2.132 HG2 :: 2.284 HG3 :: 2.412 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 :: 116.849 Ave N Shift Values>> N :: 120.67(3.48) 1.G225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.02 P 0.01 C Shift Assignments>> CA :: 47.31 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.237 HA2 :: 3.582 HA3 :: 3.99 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.79 Ave N Shift Values>> N :: 109.67(3.87) 1.I226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 I 0.28 A 0.08 C Shift Assignments>> CA :: 58.413 CB :: 43.66 CG1 :: 27.517 CG2 :: 19.268 CD1 :: 13.931 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 :: 7.912 HA :: 5.311 HB :: 1.805 HG12 :: 1.107 HG13 :: 1.429 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 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 :: 115.421 Ave N Shift Values>> N :: 121.46(4.28) 1.V227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.06 C Shift Assignments>> CA :: 60.228 CB :: 35.783 CG1 :: 20.6 CG2 :: 23.737 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 :: 8.722 HA :: 5.145 HB :: 1.758 HG11 :: 0.676 HG12 :: 0.676 HG13 :: 0.676 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 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 :: 122.548 Ave N Shift Values>> N :: 121.14(4.54) 1.I228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.746 CB :: 41.234 CG1 :: 28.263 CG2 :: 19.18 CD1 :: 14.384 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 :: 8.788 HA :: 4.377 HB :: 1.407 HG12 :: 0.915 HG13 :: 1.377 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 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 :: 126.041 Ave N Shift Values>> N :: 121.46(4.28) 1.V229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.822 CB :: 32.945 CG1 :: 21.809 CG2 :: 21.868 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 :: 8.732 HA :: 4.261 HB :: 1.985 HG11 :: 0.799 HG12 :: 0.799 HG13 :: 0.799 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 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 :: 127.911 Ave N Shift Values>> N :: 121.14(4.54) 1.N230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.16 F 0.12 E 0.12 D 0.07 M 0.05 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.644 CB :: 37.576 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 :: 9.756 HA :: 4.691 HB2 :: 2.846 HB3 :: 2.912 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 :: 123.285 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.55 P 0.27 K 0.05 R 0.03 M 0.02 H 0.02 E 0.01 Q 0.01 C Shift Assignments>> CA :: 61.796 CB :: 32.653 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 :: 4.522 HB2 :: 1.955 HB3 :: 2.137 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.D232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.23 N 0.16 K 0.08 F 0.06 Y 0.04 R 0.01 C Shift Assignments>> CA :: 52.758 CB :: 41.41 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 :: 8.142 HA :: 4.601 HB2 :: 2.874 HB3 :: 3.175 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 :: 118.448 Ave N Shift Values>> N :: 120.65(3.86) 1.E233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.45 K 0.04 M 0.01 Q 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> CA :: 60.532 CB :: 29.743 CG :: 36.715 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 :: 8.661 HA :: 3.947 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.375 HG3 :: 2.424 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 :: 118.892 Ave N Shift Values>> N :: 120.67(3.48) 1.K234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.13 C Shift Assignments>> CA :: 59.109 CB :: 31.843 CG :: 24.913 CD :: 28.779 CE :: 41.455 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 :: 8.188 HA :: 4.145 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.543 HG3 :: 1.543 HD2 :: 1.718 HD3 :: 1.773 HE2 :: 2.866 HE3 :: 3.174 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 :: 120.132 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.874 CB :: 67.376 CG2 :: 22.007 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 :: 8.134 HA :: 4.344 HB :: 4.126 HG21 :: 1.411 HG22 :: 1.411 HG23 :: 1.411 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 :: 118.712 Ave N Shift Values>> N :: 115.42(4.75) 1.V236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.T25 1.T25 C Shift Assignments>> CA :: 68.525 CB :: 31.377 CG1 :: 21.54 CG2 :: 24.201 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 :: 8.264 HA :: 3.528 HB :: 2.236 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 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 :: 121.46 Ave N Shift Values>> N :: 121.14(4.54) 1.E237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.36 K 0.09 Q 0.03 M 0.01 HN Overlap>> 1.K124 1.K124 C Shift Assignments>> CA :: 60.011 CB :: 29.352 CG :: 36.312 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 :: 8.121 HA :: 3.991 HB2 :: 2.226 HB3 :: 2.226 HG2 :: 2.398 HG3 :: 2.454 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 :: 119.28 Ave N Shift Values>> N :: 120.67(3.48) 1.D238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 L 0.14 K 0.11 D 0.11 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.597 CB :: 40.742 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 :: 8.471 HA :: 4.432 HB2 :: 2.652 HB3 :: 2.982 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 :: 120.822 Ave N Shift Values>> N :: 120.65(3.86) 1.Y239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 Y 0.06 F 0.05 V 0.01 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> CA :: 64.172 CB :: 38.059 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 :: 8.539 HA :: 4.084 HB2 :: 2.805 HB3 :: 3.046 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 :: 119.388 Ave N Shift Values>> N :: 120.52(4.2) 1.K240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 60.814 CB :: 32.24 CG :: 26.367 CD :: 29.806 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 :: 9.185 HA :: 3.969 HB2 :: 1.982 HB3 :: 1.982 HG2 :: 1.408 HG3 :: 1.707 HD2 :: 1.699 HD3 :: 1.699 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 :: 123.173 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.63 CB :: 62.762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.853 HA :: 4.382 HB2 :: 4.086 HB3 :: 4.086 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 :: 115.089 Ave N Shift Values>> N :: 116.28(3.52) 1.K242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 1.E29 1.E29 C Shift Assignments>> CA :: 59.827 CB :: 33.151 CG :: 25.523 CD :: 29.57 CE :: 41.868 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 :: 7.92 HA :: 4.024 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.3 HG3 :: 1.471 HD2 :: 1.117 HD3 :: 1.41 HE2 :: 2.689 HE3 :: 2.689 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 :: 123.16 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.12 G 0.06 HN Overlap>> 1.S146 1.S146 C Shift Assignments>> CA :: 60.365 CB :: 33.59 CG :: 25.128 CE :: 42.566 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 :: 8.614 HA :: 3.957 HB2 :: 1.831 HB3 :: 2.231 HG2 :: 1.458 HG3 :: 1.697 HE2 :: 3.065 HE3 :: 3.065 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 :: 121.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.23 K 0.08 M 0.03 Q 0.03 HN Overlap>> 1.I192 1.I192 C Shift Assignments>> CA :: 59.03 CB :: 29.738 CG :: 36.583 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 :: 8.063 HA :: 4.188 HB2 :: 2.194 HB3 :: 2.194 HG2 :: 2.359 HG3 :: 2.518 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 :: 117.834 Ave N Shift Values>> N :: 120.67(3.48) 1.S245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.702 CB :: 63.569 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.913 HA :: 4.36 HB2 :: 4.005 HB3 :: 4.005 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 :: 113.012 Ave N Shift Values>> N :: 116.28(3.52) 1.Y246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 Y 0.32 F 0.29 E 0.01 L 0.01 C Shift Assignments>> CA :: 59.864 CB :: 38.934 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 :: 7.896 HA :: 4.457 HB2 :: 3.204 HB3 :: 3.204 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 :: 121.654 Ave N Shift Values>> N :: 120.52(4.2) 1.E247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 M 0.13 I 0.07 K 0.05 Q 0.02 HN Overlap>> 1.D182 1.D182 1.R126 1.R126 C Shift Assignments>> CA :: 56.819 CB :: 30.39 CG :: 36.962 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 :: 7.884 HA :: 4.158 HB2 :: 2.001 HB3 :: 2.165 HG2 :: 2.383 HG3 :: 2.667 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 :: 119.849 Ave N Shift Values>> N :: 120.67(3.48) 1.K248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 58.292 CB :: 33.535 CG :: 24.914 CD :: 29.414 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 :: 7.529 HA :: 4.118 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 1.502 HG3 :: 1.502 HD2 :: 1.739 HD3 :: 1.739 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 :: 126.182 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 241 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 247 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 248 #Suspicious: 0 C Shift Results: #Consistent: 799 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1691 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 240 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G10 H = 5.698(S), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1386e-05 1.V89 HG11 = -0.215(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8388e-05 1.V89 HG12 = -0.215(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8388e-05 1.V89 HG13 = -0.215(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8388e-05 1.E90 HG3 = 3.078(S), Expected = 2.25, Std = 0.2200, ChiSquare = 1.6746e-04 1.A100 H = 10.627(S), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2323e-05 1.L130 CD1 = 18.051(S), Expected = 24.72, Std = 1.5900, ChiSquare = 2.7367e-05 1.A180 HA = 5.827(S), Expected = 4.26, Std = 0.4400, ChiSquare = 3.6893e-04 1.T181 HA = 6.285(S), Expected = 4.46, Std = 0.4800, ChiSquare = 1.4348e-04