Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.11 K 0.09 Q 0.09 V 0.01 C Shift Assignments>> CA :: 56.500 CB :: 31.094 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) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.44 C 0.22 P 0.2 W 0.03 K 0.02 R 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.414 CA :: 62.147 CB :: 33.000 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 :: 8.000 HA :: 4.446 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 :: 122.707 Ave N Shift Values>> N :: 121.46(4.28) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 178.547 CA :: 60.225 CB :: 65.151 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.907 HA :: 4.268 HB2 :: 3.847 HB3 :: 3.847 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 :: 124.811 Ave N Shift Values>> N :: 116.28(3.52) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 H 0.15 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 C Shift Assignments>> CA :: 56.418 CB :: 30.633 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>> HA :: 4.673 HB2 :: 3.111 HB3 :: 3.111 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) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.A166 1.A166 C Shift Assignments>> C :: 175.799 CA :: 61.051 CB :: 38.877 CG1 :: 27.271 CG2 :: 17.573 CD1 :: 12.915 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 :: 7.939 HA :: 4.147 HB :: 1.806 HG12 :: 1.107 HG13 :: 1.380 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 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 :: 122.163 Ave N Shift Values>> N :: 121.46(4.28) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.33 K 0.08 M 0.05 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.808 CA :: 55.894 CB :: 29.733 CG :: 36.434 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 :: 8.417 HA :: 4.448 HB2 :: 2.083 HB3 :: 2.083 HE21 :: 6.237 HE22 :: 6.616 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.733 NE2 :: 108.851 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.538 CA :: 61.852 CB :: 69.898 CG2 :: 21.519 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 :: 8.171 HA :: 4.355 HB :: 4.233 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.232 Ave N Shift Values>> N :: 115.42(4.75) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 F 0.12 K 0.11 Y 0.1 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 175.579 CA :: 55.131 CB :: 41.024 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 :: 8.043 HA :: 4.424 HB2 :: 2.563 HB3 :: 2.696 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 :: 126.174 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.26 L 0.08 F 0.08 C 0.07 Y 0.07 HN Overlap>> 1.M11 1.M11 C Shift Assignments>> C :: 173.884 CA :: 53.267 CB :: 39.574 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 :: 8.292 HA :: 4.790 HB2 :: 2.807 HB3 :: 2.978 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 :: 123.856 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 F 0.12 Y 0.1 N 0.1 K 0.08 C 0.06 C Shift Assignments>> C :: 179.216 CA :: 54.929 CB :: 40.840 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 :: 8.006 HA :: 4.512 HB2 :: 2.748 HB3 :: 2.802 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 :: 124.405 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.06 E 0.01 K 0.01 HN Overlap>> 1.N9 1.Q16 1.N9 1.Q16 C Shift Assignments>> C :: 175.255 CA :: 53.369 CB :: 39.262 CG :: 32.123 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 :: 8.334 HA :: 4.798 HB2 :: 1.976 HB3 :: 2.031 HG2 :: 2.616 HG3 :: 2.638 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 :: 123.954 Ave N Shift Values>> N :: 120.09(3.57) 1.P12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.741 CA :: 63.387 CB :: 32.135 CG :: 27.504 CD :: 50.636 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 :: 4.426 HB2 :: 2.308 HB3 :: 2.084 HG2 :: 2.054 HG3 :: 2.054 HD2 :: 3.675 HD3 :: 3.840 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.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.213 CA :: 45.393 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.335 HA2 :: 3.948 HA3 :: 4.650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.792 Ave N Shift Values>> N :: 109.67(3.87) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.I201 1.S211 1.I186 1.I201 1.S211 1.I186 1.M84 1.M84 C Shift Assignments>> C :: 176.067 CA :: 62.190 CB :: 32.362 CG2 :: 21.094 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 :: 7.736 HA :: 4.121 HB :: 2.076 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 :: 118.996 Ave N Shift Values>> N :: 121.14(4.54) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.24 C 0.23 M 0.09 E 0.08 R 0.01 HN Overlap>> 1.M11 1.M11 C Shift Assignments>> C :: 175.708 CA :: 55.747 CB :: 29.701 CG :: 33.912 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 :: 8.363 HA :: 4.580 HE21 :: 6.803 HE22 :: 7.462 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 :: 123.986 NE2 :: 112.092 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.11 C Shift Assignments>> C :: 175.772 CA :: 56.084 CB :: 33.283 CG :: 25.084 CD :: 29.282 CE :: 41.978 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 :: 8.260 HA :: 4.372 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 1.451 HG3 :: 1.451 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.980 HE3 :: 2.980 HZ1 :: 7.048(U) HZ2 :: 7.048(U) HZ3 :: 7.048(U) 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 :: 122.199 NZ :: 30.092 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.22 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.306 CA :: 53.282 CB :: 39.202 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 :: 8.334 HA :: 4.702 HB2 :: 2.770 HB3 :: 2.778 HD21 :: 6.858 HD22 :: 7.545 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 :: 119.789 ND2 :: 112.526 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.11 L 0.11 D 0.09 I 0.06 K 0.06 N 0.01 C Shift Assignments>> CA :: 57.730 CB :: 40.462 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.958 HA :: 4.599 HB2 :: 3.058 HB3 :: 3.058 HD1 :: 7.201 HD2 :: 7.201 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 :: 121.483 Ave N Shift Values>> N :: 120.45(4.18) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 M 0.21 C 0.19 K 0.17 E 0.04 R 0.04 H 0.04 W 0.02 V 0.01 C Shift Assignments>> C :: 174.586 CA :: 56.309 CB :: 34.022 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 :: 7.768 HA :: 4.605 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.477 HG3 :: 1.477 HD2 :: 1.693 HD3 :: 1.693 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 :: 122.695 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.857 CA :: 65.434 CB :: 70.417 CG2 :: 21.424 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 :: 8.680 HA :: 4.472 HB :: 4.093 HG21 :: 0.803 HG22 :: 0.803 HG23 :: 0.803 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 :: 117.852 Ave N Shift Values>> N :: 115.42(4.75) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.28 F 0.13 C Shift Assignments>> C :: 177.906 CA :: 58.360 CB :: 40.250 CD1 :: 133.593 CD2 :: 133.593 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 :: 9.625 HA :: 4.023 HB2 :: 3.518 HB3 :: 3.297 HD1 :: 7.492 HD2 :: 7.492 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 :: 120.798 Ave N Shift Values>> N :: 120.45(4.18) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.413 CA :: 46.047 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.663 HA2 :: 4.111 HA3 :: 4.132 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.246 Ave N Shift Values>> N :: 109.67(3.87) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.28 A 0.02 C Shift Assignments>> C :: 172.925 CA :: 58.344 CB :: 33.267 CG1 :: 21.305 CG2 :: 19.218 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 :: 8.062 HA :: 4.711 HB :: 2.043 HG11 :: 0.666 HG12 :: 0.666 HG13 :: 0.666 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 117.005 Ave N Shift Values>> N :: 121.14(4.54) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 178.411 CA :: 63.376 CB :: 32.237 CG :: 27.599 CD :: 50.969 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 :: 4.345 HB2 :: 2.303 HB3 :: 2.278 HG2 :: 1.926 HG3 :: 1.926 HD2 :: 3.836 HD3 :: 3.712 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.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.43 R 0.08 G 0.02 C Shift Assignments>> C :: 178.516 CA :: 58.630 CB :: 42.546 CG :: 27.170 CD1 :: 25.237 CD2 :: 25.385 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 :: 9.101 HA :: 3.939 HB2 :: 1.836 HB3 :: 1.836 HG :: 1.622 HD11 :: 1.169 HD12 :: 1.169 HD13 :: 1.169 HD21 :: 1.090 HD22 :: 1.090 HD23 :: 1.090 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.227 Ave N Shift Values>> N :: 121.86(3.9) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.38 E 0.14 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.513 CA :: 60.790 CB :: 27.907 CG :: 36.222 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 :: 9.901 HA :: 3.880 HB2 :: 1.871 HB3 :: 2.099 HG2 :: 2.341 HG3 :: 2.539 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.323 Ave N Shift Values>> N :: 120.67(3.48) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.769 CA :: 60.574 CB :: 63.456 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.637 HA :: 4.355 HB2 :: 3.974 HB3 :: 4.085 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 :: 114.426 Ave N Shift Values>> N :: 116.28(3.52) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.26 G 0.11 K 0.02 R 0.01 C Shift Assignments>> C :: 176.428 CA :: 55.719 CB :: 43.578 CG :: 26.546 CD2 :: 24.268 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 :: 7.665 HA :: 3.734 HB2 :: 1.700 HB3 :: 1.737 HG :: 1.693 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 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 :: 120.500 Ave N Shift Values>> N :: 121.86(3.9) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 179.182 CA :: 60.594 CB :: 36.622 CG1 :: 27.617 CG2 :: 17.682 CD1 :: 12.252 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 :: 7.316 HA :: 4.262 HB :: 1.890 HG12 :: 1.099 HG13 :: 1.385 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 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) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.21 K 0.05 Q 0.01 HN Overlap>> 1.I96 1.I96 C Shift Assignments>> C :: 176.900 CA :: 58.874 CB :: 28.959 CG :: 36.751 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 :: 7.475 HA :: 4.456 HB2 :: 2.077 HB3 :: 2.077 HG2 :: 2.417 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 :: 119.311 Ave N Shift Values>> N :: 120.67(3.48) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.4 C 0.18 C Shift Assignments>> C :: 179.327 CA :: 57.842 CB :: 39.948 CZ :: 128.842 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 :: 8.744 HA :: 3.600 HB2 :: 3.108 HB3 :: 3.216 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 :: 119.101 Ave N Shift Values>> N :: 120.45(4.18) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 E 0.11 R 0.1 H 0.08 V 0.08 Q 0.05 K 0.05 I 0.04 M 0.03 P 0.01 HN Overlap>> 1.I180 1.I180 C Shift Assignments>> CA :: 59.879 CB :: 30.597 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 :: 8.262 HA :: 4.424 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 :: 117.830 Ave N Shift Values>> N :: 120.67(3.48) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.28 K 0.26 R 0.07 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 175.458 CA :: 57.519 CB :: 28.450 CG :: 33.888 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>> HA :: 4.057 HB2 :: 2.078 HB3 :: 2.078 HG2 :: 2.320 HG3 :: 2.320 HE21 :: 7.015 HE22 :: 7.654 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>> NE2 :: 109.720 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.12 N 0.07 R 0.06 F 0.05 C 0.04 Y 0.03 HN Overlap>> 1.A189 1.A189 C Shift Assignments>> C :: 177.361 CA :: 53.135 CB :: 41.993 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 :: 7.908 HA :: 4.712 HB2 :: 2.861 HB3 :: 2.814 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 :: 117.167 Ave N Shift Values>> N :: 120.65(3.86) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 E 0.09 Q 0.09 H 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 172.504 CA :: 56.955 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 :: 7.893 HA :: 3.967 HB2 :: 2.104 HB3 :: 2.104 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 :: 114.113 Ave N Shift Values>> N :: 120.09(3.57) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.26 M 0.1 K 0.07 Y 0.07 Q 0.06 I 0.04 F 0.03 V 0.03 C Shift Assignments>> C :: 174.474 CA :: 58.334 CB :: 35.571 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 :: 7.185 HA :: 4.640 HB :: 1.787 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.954 Ave N Shift Values>> N :: 121.14(4.54) 1.P38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.26 I 0.07 C 0.03 C Shift Assignments>> C :: 180.069 CA :: 55.861 CB :: 18.055 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.065 HA :: 3.913 HB1 :: 1.486 HB2 :: 1.486 HB3 :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.375 Ave N Shift Values>> N :: 123.23(3.54) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.41 C Shift Assignments>> C :: 175.930 CA :: 63.308 CB :: 36.999 CG1 :: 29.517 CG2 :: 15.930 CD1 :: 16.634 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 :: 9.182 HA :: 3.827 HB :: 1.537 HG12 :: 0.871 HG13 :: 1.342 HG21 :: -0.106 HG22 :: -0.106 HG23 :: -0.106 HD11 :: -0.099 HD12 :: -0.099 HD13 :: -0.099 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 :: 115.323 Ave N Shift Values>> N :: 121.46(4.28) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.551 CA :: 65.822 CB :: 31.629 CG1 :: 21.235 CG2 :: 24.900 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 :: 6.311 HA :: 3.277 HB :: 1.985 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.523 HG22 :: 0.523 HG23 :: 0.523 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 :: 121.920 Ave N Shift Values>> N :: 121.14(4.54) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.43 G 0.05 K 0.04 C Shift Assignments>> C :: 179.470 CA :: 59.631 CB :: 30.455 CG :: 27.130 CD :: 43.104 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 :: 7.647 HA :: 3.727 HB2 :: 1.735 HB3 :: 1.735 HG2 :: 1.714 HG3 :: 1.449 HD2 :: 3.177 HD3 :: 3.232 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 :: 117.417 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.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.22 K 0.06 Q 0.02 C Shift Assignments>> C :: 178.317 CA :: 58.768 CB :: 28.355 CG :: 36.488 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 :: 8.854 HA :: 4.273 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 2.352 HG3 :: 2.352 HE21 :: 6.647 HE22 :: 7.010 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.088 NE2 :: 109.319 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.25 W 0.12 V 0.1 P 0.05 E 0.04 R 0.03 K 0.03 H 0.03 Q 0.02 C Shift Assignments>> C :: 176.554 CA :: 61.942 CB :: 29.534 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.755 HA :: 4.026 HB2 :: 3.110 HB3 :: 2.554 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.716 Ave N Shift Values>> N :: 120.17(4.64) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 176.266 CA :: 66.791 CB :: 37.586 CG1 :: 30.602 CG2 :: 16.675 CD1 :: 14.142 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 :: 7.932 HA :: 2.825 HB :: 1.664 HG12 :: 0.154 HG13 :: 0.154 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 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 :: 117.596 Ave N Shift Values>> N :: 121.46(4.28) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> C :: 177.288 CA :: 61.358 CB :: 38.277 CD1 :: 132.298 CD2 :: 132.298 CE1 :: 118.358 CE2 :: 118.358 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 :: 7.938 HA :: 4.284 HB2 :: 3.166 HB3 :: 3.166 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.797 HE2 :: 6.797 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.766 Ave N Shift Values>> N :: 120.52(4.2) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.907 CA :: 66.408 CB :: 31.476 CG1 :: 21.764 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 :: 7.770 HA :: 3.505 HB :: 2.287 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 1.353 HG22 :: 1.353 HG23 :: 1.353 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 :: 116.785 Ave N Shift Values>> N :: 121.14(4.54) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.514 CA :: 65.219 CB :: 36.169 CG1 :: 27.884 CG2 :: 18.341 CD1 :: 12.254 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 :: 8.064 HA :: 3.513 HB :: 1.927 HG12 :: 1.220 HG13 :: 1.220 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 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 :: 119.882 Ave N Shift Values>> N :: 121.46(4.28) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.06 I 0.04 N 0.02 C Shift Assignments>> C :: 179.463 CA :: 57.187 CB :: 40.524 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 :: 9.334 HA :: 4.364 HB2 :: 2.338 HB3 :: 2.850 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 :: 121.122 Ave N Shift Values>> N :: 120.65(3.86) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.16 C Shift Assignments>> C :: 178.395 CA :: 58.245 CB :: 32.666 CG :: 24.337 CD :: 28.147 CE :: 41.931 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 :: 7.820 HA :: 3.741 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 1.070 HG3 :: 1.493 HE2 :: 3.053 HE3 :: 3.053 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 :: 118.171 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.31 C 0.16 C Shift Assignments>> C :: 177.269 CA :: 57.816 CB :: 42.126 CD1 :: 133.022 CD2 :: 133.022 CZ :: 129.534 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 :: 8.097 HA :: 4.970 HB2 :: 3.505 HB3 :: 3.255 HD1 :: 7.419 HD2 :: 7.419 HZ :: 7.356 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 :: 112.768 Ave N Shift Values>> N :: 120.45(4.18) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 173.858 CA :: 47.238 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.241 HA2 :: 4.687 HA3 :: 3.453 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.950 Ave N Shift Values>> N :: 109.67(3.87) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 K 0.01 HN Overlap>> 1.Q150 1.Q150 1.K104 1.K104 C Shift Assignments>> C :: 177.499 CA :: 58.047 CB :: 40.430 CG :: 26.205 CD2 :: 23.408 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 :: 8.216 HA :: 3.824 HB2 :: 1.703 HB3 :: 1.703 HG :: 0.721 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.684 HD22 :: 0.684 HD23 :: 0.684 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 :: 118.508 Ave N Shift Values>> N :: 121.86(3.9) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.07 C 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.103 CA :: 53.462 CB :: 41.298 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 :: 7.948 HA :: 5.008 HB2 :: 3.438 HB3 :: 2.518 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 :: 111.696 Ave N Shift Values>> N :: 120.65(3.86) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 C 0.24 R 0.19 Q 0.17 M 0.08 C Shift Assignments>> C :: 175.422 CA :: 55.350 CB :: 28.435 CG :: 32.249 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 :: 7.246 HA :: 4.084 HB2 :: 2.076 HB3 :: 1.959 HG2 :: 2.607 HG3 :: 2.551 HE21 :: 7.516 HE22 :: 6.795 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 :: 120.306 NE2 :: 109.758 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.11 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.062 CA :: 58.339 CB :: 29.605 CG :: 36.492 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 :: 8.600 HA :: 4.103 HB2 :: 1.900 HB3 :: 2.104 HG2 :: 2.322 HG3 :: 2.322 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 :: 126.522 Ave N Shift Values>> N :: 120.67(3.48) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.164 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.446 HA2 :: 4.168 HA3 :: 3.782 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.902 Ave N Shift Values>> N :: 109.67(3.87) 1.I58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.823 CA :: 65.639 CB :: 31.763 CG2 :: 20.841 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>> HA :: 3.753 HB :: 2.156 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 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) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 K 0.19 C Shift Assignments>> C :: 179.470 CA :: 58.132 CB :: 41.389 CG :: 27.229 CD2 :: 23.702 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 :: 8.268 HA :: 4.144 HB2 :: 1.567 HB3 :: 1.567 HG :: 1.680 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 HD21 :: 0.978 HD22 :: 0.978 HD23 :: 0.978 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 :: 121.868 Ave N Shift Values>> N :: 121.86(3.9) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 K 0.13 L 0.12 C 0.1 D 0.08 I 0.05 R 0.01 C Shift Assignments>> C :: 179.039 CA :: 57.802 CB :: 40.934 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 :: 7.415 HA :: 4.478 HB2 :: 2.790 HB3 :: 2.790 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 :: 119.758 Ave N Shift Values>> N :: 120.65(3.86) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.402 CA :: 66.943 CB :: 31.808 CG2 :: 21.593 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 :: 7.709 HA :: 3.478 HB :: 2.102 HG11 :: 0.975 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.276 Ave N Shift Values>> N :: 121.14(4.54) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S94 1.S94 C Shift Assignments>> C :: 176.066 CA :: 62.055 CB :: 62.955 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.304 HA :: 4.112 HB2 :: 3.955 HB3 :: 3.955 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 :: 114.666 Ave N Shift Values>> N :: 116.28(3.52) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 C Shift Assignments>> C :: 178.348 CA :: 59.261 CB :: 32.374 CG :: 24.754 CD :: 28.800 CE :: 42.101 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 :: 7.740 HA :: 4.093 HB2 :: 1.947 HB3 :: 1.975 HG2 :: 1.612 HG3 :: 1.612 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 2.964 HE3 :: 2.964 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 :: 121.377 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.3 K 0.29 L 0.03 HN Overlap>> 1.D196 1.D196 C Shift Assignments>> C :: 178.266 CA :: 57.551 CB :: 42.287 CG :: 29.430 CD2 :: 26.356 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 :: 7.287 HA :: 4.973 HB2 :: 1.251 HB3 :: 1.251 HG :: 1.639 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 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 :: 119.633 Ave N Shift Values>> N :: 121.86(3.9) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.4 R 0.03 C Shift Assignments>> C :: 177.556 CA :: 59.769 CB :: 32.760 CG :: 23.604 CD :: 29.518 CE :: 41.859 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 :: 8.209 HA :: 3.462 HB2 :: 1.777 HB3 :: 1.777 HG2 :: 1.130 HG3 :: 1.130 HD2 :: 1.116 HD3 :: 1.116 HE2 :: 2.787 HE3 :: 2.787 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 :: 119.001 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.21 K 0.05 Q 0.02 C Shift Assignments>> C :: 179.856 CA :: 59.353 CB :: 29.211 CG :: 36.562 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 :: 7.965 HA :: 4.043 HB2 :: 2.122 HB3 :: 2.122 HG2 :: 2.420 HG3 :: 2.286 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 :: 116.538 Ave N Shift Values>> N :: 120.67(3.48) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.17 K 0.04 Q 0.01 M 0.01 HN Overlap>> 1.Y46 1.Y46 C Shift Assignments>> C :: 180.000 CA :: 59.310 CB :: 29.650 CG :: 36.601 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 :: 7.960 HA :: 4.118 HB3 :: 2.145 HG2 :: 2.466 HG3 :: 2.349 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 :: 118.830 Ave N Shift Values>> N :: 120.67(3.48) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.642 CA :: 65.434 CB :: 38.056 CG1 :: 29.477 CG2 :: 17.641 CD1 :: 14.494 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 :: 8.331 HA :: 4.205 HB :: 2.128 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 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 :: 121.590 Ave N Shift Values>> N :: 121.46(4.28) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.2 L 0.16 Y 0.16 D 0.1 C 0.08 R 0.02 I 0.02 N 0.01 HN Overlap>> 1.D148 1.D148 C Shift Assignments>> C :: 178.113 CA :: 57.314 CB :: 41.338 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 :: 8.406 HA :: 4.999 HB2 :: 2.890 HB3 :: 2.616 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 :: 119.603 Ave N Shift Values>> N :: 120.65(3.86) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 177.436 CA :: 58.690 CB :: 33.375 CG :: 24.968 CD :: 29.285 CE :: 41.995 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 :: 7.464 HA :: 4.086 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 2.981 HE3 :: 2.981 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 :: 116.817 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.28 R 0.13 G 0.07 K 0.05 N 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 173.682 CA :: 51.912 CB :: 42.739 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 :: 7.336 HA :: 4.934 HB2 :: 2.855 HB3 :: 2.581 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.416 Ave N Shift Values>> N :: 120.65(3.86) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.069 CA :: 64.806 CB :: 31.989 CG :: 27.127 CD :: 50.613 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 :: 4.412 HB2 :: 2.232 HB3 :: 2.232 HG2 :: 1.920 HG3 :: 1.920 HD2 :: 3.778 HD3 :: 3.778 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.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 179.906 CA :: 54.168 CB :: 18.324 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.459 HA :: 4.231 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.519 Ave N Shift Values>> N :: 123.23(3.54) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.17 Y 0.1 E 0.08 F 0.08 D 0.05 M 0.04 L 0.01 HN Overlap>> 1.T105 1.T105 C Shift Assignments>> C :: 176.909 CA :: 54.129 CB :: 37.496 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 :: 8.406 HA :: 4.076 HB2 :: 2.904 HB3 :: 3.001 HD21 :: 7.924 HD22 :: 7.093 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 :: 115.755 ND2 :: 113.837 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.228 CA :: 65.455 CB :: 38.229 CG1 :: 29.714 CG2 :: 17.617 CD1 :: 14.413 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 :: 7.664 HA :: 3.771 HB :: 1.950 HG12 :: 1.156 HG13 :: 1.156 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 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 :: 120.701 Ave N Shift Values>> N :: 121.46(4.28) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.422 CA :: 60.989 CB :: 62.852 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.046 HA :: 4.141 HB2 :: 3.965 HB3 :: 3.965 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 :: 114.969 Ave N Shift Values>> N :: 116.28(3.52) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.44 A 0.04 HN Overlap>> 1.S211 1.V15 1.S211 1.V15 C Shift Assignments>> C :: 176.719 CA :: 56.862 CB :: 33.167 CE :: 17.124 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 :: 7.676 HA :: 4.412 HB2 :: 2.145 HB3 :: 2.145 HG2 :: 2.654 HG3 :: 2.654 HE1 :: 2.089 HE2 :: 2.089 HE3 :: 2.089 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 :: 118.951 Ave N Shift Values>> N :: 120.09(3.57) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 175.492 CA :: 62.878 CB :: 39.081 CG1 :: 28.006 CG2 :: 17.744 CD1 :: 14.587 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 :: 7.490 HA :: 3.901 HB :: 1.860 HG12 :: 1.214 HG13 :: 1.529 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 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 :: 117.244 Ave N Shift Values>> N :: 121.46(4.28) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.15 K 0.12 R 0.01 G 0.01 C Shift Assignments>> CA :: 52.752 CB :: 42.213 CG :: 26.977 CD2 :: 24.991 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 :: 7.392 HA :: 4.448 HB2 :: 1.649 HB3 :: 1.649 HG :: 1.608 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 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 :: 120.066 Ave N Shift Values>> N :: 121.86(3.9) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.878 CA :: 62.897 CB :: 32.301 CG :: 27.523 CD :: 50.814 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 :: 4.431 HB2 :: 2.300 HB3 :: 2.301 HG2 :: 1.867 HG3 :: 1.867 HD2 :: 3.933 HD3 :: 3.933 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.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L119 1.L119 C Shift Assignments>> C :: 172.770 CA :: 58.001 CB :: 64.470 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.246 HA :: 4.415 HB2 :: 3.837 HB3 :: 3.837 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 :: 116.795 Ave N Shift Values>> N :: 116.28(3.52) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.37 R 0.12 G 0.01 HN Overlap>> 1.E205 1.E205 C Shift Assignments>> CA :: 55.747 CB :: 33.795 CG :: 24.814 CD :: 29.296 CE :: 42.470 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 :: 8.066 HA :: 4.357 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 1.430 HG3 :: 1.430 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.969 HE3 :: 2.969 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 :: 120.985 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 W 0.13 E 0.13 C 0.13 Q 0.1 M 0.09 K 0.08 V 0.01 C Shift Assignments>> C :: 175.067 CA :: 56.659 CB :: 30.795 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) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.411 CA :: 56.827 CB :: 65.434 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.191 HA :: 4.483 HB2 :: 4.291 HB3 :: 4.291 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 :: 114.472 Ave N Shift Values>> N :: 116.28(3.52) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.14 D 0.11 L 0.08 I 0.05 N 0.05 C Shift Assignments>> C :: 178.098 CA :: 56.905 CB :: 39.510 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 :: 8.810 HA :: 4.200 HB2 :: 2.643 HB3 :: 2.643 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 :: 122.806 Ave N Shift Values>> N :: 120.65(3.86) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S69 1.S69 C Shift Assignments>> C :: 176.411 CA :: 61.357 CB :: 63.044 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.220 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 :: 114.642 Ave N Shift Values>> N :: 116.28(3.52) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.19 L 0.17 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 177.641 CA :: 57.313 CB :: 41.458 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 :: 7.705 HA :: 4.485 HB2 :: 2.810 HB3 :: 2.697 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 :: 122.028 Ave N Shift Values>> N :: 120.65(3.86) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 178.134 CA :: 62.531 CB :: 36.230 CG1 :: 27.249 CG2 :: 17.519 CD1 :: 13.875 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 :: 7.490 HA :: 3.664 HB :: 1.963 HG12 :: 1.210 HG13 :: 1.489 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 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 :: 119.358 Ave N Shift Values>> N :: 121.46(4.28) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 179.812 CA :: 60.920 CB :: 36.803 CD1 :: 132.743 CD2 :: 132.743 CE1 :: 118.569 CE2 :: 118.569 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 :: 7.605 HA :: 4.396 HB2 :: 2.962 HB3 :: 2.962 HD1 :: 7.177 HD2 :: 7.177 HE1 :: 6.729 HE2 :: 6.729 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.286 Ave N Shift Values>> N :: 120.52(4.2) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.33 K 0.27 C Shift Assignments>> C :: 177.853 CA :: 58.760 CB :: 41.496 CG :: 27.324 CD2 :: 24.448 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 :: 8.117 HA :: 4.023 HB2 :: 2.163 HB3 :: 2.163 HG :: 1.486 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 1.008 HD22 :: 1.008 HD23 :: 1.008 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 :: 121.936 Ave N Shift Values>> N :: 121.86(3.9) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.200 CA :: 67.701 CB :: 31.427 CG2 :: 21.970 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 :: 7.770 HA :: 3.777 HB :: 2.093 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 119.740 Ave N Shift Values>> N :: 121.14(4.54) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 P 0.21 A 0.1 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.765 CA :: 48.023 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.304 HA2 :: 3.593 HA3 :: 4.166 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.445 Ave N Shift Values>> N :: 109.67(3.87) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.463 CA :: 62.591 CB :: 63.652 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.493 HA :: 4.210 HB2 :: 3.991 HB3 :: 3.991 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 :: 117.427 Ave N Shift Values>> N :: 116.28(3.52) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.34 K 0.21 C Shift Assignments>> C :: 178.162 CA :: 58.133 CB :: 41.582 CG :: 26.977 CD2 :: 24.462 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 :: 9.024 HA :: 4.112 HB2 :: 1.694 HB3 :: 1.694 HG :: 1.812 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.966 HD22 :: 0.966 HD23 :: 0.966 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.389 Ave N Shift Values>> N :: 121.86(3.9) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 K 0.15 R 0.02 G 0.02 HN Overlap>> 1.I123 1.I123 C Shift Assignments>> C :: 179.227 CA :: 58.553 CB :: 42.571 CG :: 26.781 CD2 :: 24.808 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 :: 8.490 HA :: 4.358 HB2 :: 1.848 HB3 :: 1.848 HG :: 1.702 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 HD21 :: 0.977 HD22 :: 0.977 HD23 :: 0.977 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 :: 120.891 Ave N Shift Values>> N :: 121.86(3.9) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 C 0.25 P 0.11 W 0.09 K 0.05 R 0.05 E 0.03 H 0.03 M 0.03 I 0.01 Q 0.01 HN Overlap>> 1.T153 1.L53 1.T153 1.L53 C Shift Assignments>> C :: 178.712 CA :: 61.033 CB :: 31.957 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 :: 8.168 HA :: 4.092 HB2 :: 1.870 HB3 :: 1.870 HG2 :: 1.000 HG3 :: 1.000 HD2 :: 1.624 HD3 :: 1.624 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 :: 118.513 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> 1.N81 1.N81 C Shift Assignments>> C :: 177.067 CA :: 67.256 CB :: 68.593 CG2 :: 23.745 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 :: 8.427 HA :: 4.530 HB :: 4.083 HG21 :: 1.413 HG22 :: 1.413 HG23 :: 1.413 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 :: 115.782 Ave N Shift Values>> N :: 115.42(4.75) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.33 F 0.09 C Shift Assignments>> C :: 177.580 CA :: 62.083 CB :: 37.852 CD1 :: 132.350 CD2 :: 132.350 CE1 :: 133.593 CE2 :: 133.593 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 :: 8.985 HA :: 4.239 HB2 :: 3.440 HB3 :: 3.311 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 7.496 HE2 :: 7.496 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 :: 125.036 Ave N Shift Values>> N :: 120.45(4.18) 1.F107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.68 C 0.24 F 0.06 HN Overlap>> 1.H167 1.H167 C Shift Assignments>> C :: 178.472 CA :: 63.353 CB :: 39.742 CD1 :: 133.333 CD2 :: 133.333 CE1 :: 128.552 CE2 :: 128.552 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.837 HA :: 4.320 HB2 :: 3.185 HB3 :: 3.365 HD1 :: 5.933(S) HD2 :: 5.933(S) HE1 :: 6.642 HE2 :: 6.642 HZ :: 6.763 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 :: 117.444 Ave N Shift Values>> N :: 120.45(4.18) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 C Shift Assignments>> C :: 178.468 CA :: 53.944 CB :: 18.977 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.698 HA :: 4.407 HB1 :: 1.592 HB2 :: 1.592 HB3 :: 1.592 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.063 Ave N Shift Values>> N :: 123.23(3.54) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.500 CA :: 59.005 CB :: 63.992 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.549 HA :: 4.506 HB2 :: 4.090 HB3 :: 4.090 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 :: 111.375 Ave N Shift Values>> N :: 116.28(3.52) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.19 K 0.06 G 0.04 A 0.03 C Shift Assignments>> C :: 176.943 CA :: 53.865 CB :: 42.830 CG :: 27.021 CD2 :: 23.518 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 :: 6.806 HA :: 4.043 HB2 :: 1.826 HB3 :: 1.826 HG :: 1.557 HD11 :: 1.032 HD12 :: 1.032 HD13 :: 1.032 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 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 :: 123.095 Ave N Shift Values>> N :: 121.86(3.9) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 175.262 CA :: 64.027 CB :: 31.330 CG :: 27.392 CD :: 51.094 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 :: 4.360 HB2 :: 2.167 HB3 :: 2.167 HG2 :: 2.043 HG3 :: 2.043 HD2 :: 3.657 HD3 :: 3.657 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.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.24 D 0.18 R 0.16 C 0.04 F 0.02 N 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 175.380 CA :: 51.827 CB :: 43.416 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 :: 7.139 HA :: 4.827 HB2 :: 2.564 HB3 :: 2.676 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 :: 115.829 Ave N Shift Values>> N :: 120.65(3.86) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S120 1.S120 C Shift Assignments>> C :: 176.650 CA :: 57.112 CB :: 63.034 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.478 HA :: 4.223 HB2 :: 4.527 HB3 :: 4.527 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 :: 117.952 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 0.88 C 0.11 HN Overlap>> 1.E205 1.E205 C Shift Assignments>> C :: 175.481 CA :: 66.136 CB :: 31.394 CG1 :: 22.312 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 :: 8.180 HA :: 3.875 HB :: 2.210 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.909 Ave N Shift Values>> N :: 121.14(4.54) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.27 L 0.14 R 0.05 G 0.02 A 0.01 C Shift Assignments>> CA :: 51.856 CB :: 42.057 CG :: 29.326 CD2 :: 24.774 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 :: 6.966 HA :: 4.933 HB2 :: 2.273 HB3 :: 2.273 HG :: 1.221 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.532 Ave N Shift Values>> N :: 121.86(3.9) 1.P116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.108 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.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.25 W 0.1 P 0.07 K 0.06 R 0.06 E 0.05 H 0.04 M 0.03 Q 0.01 I 0.01 C Shift Assignments>> C :: 179.943 CA :: 60.727 CB :: 31.866 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 :: 9.973 HA :: 4.391 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 :: 114.433 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.123 CA :: 54.369 CB :: 18.385 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.152 HA :: 4.310 HB1 :: 1.703 HB2 :: 1.703 HB3 :: 1.703 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.517 Ave N Shift Values>> N :: 123.23(3.54) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.21 R 0.11 K 0.06 G 0.04 HN Overlap>> 1.S88 1.S88 C Shift Assignments>> C :: 178.811 CA :: 54.508 CB :: 42.974 CG :: 26.909 CD1 :: 26.020 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 :: 8.339 HA :: 4.701 HB2 :: 1.851 HB3 :: 1.851 HG :: 1.506 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.991 HD22 :: 0.991 HD23 :: 0.991 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 :: 116.830 Ave N Shift Values>> N :: 121.86(3.9) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S113 1.S113 C Shift Assignments>> C :: 176.111 CA :: 63.459 CB :: 63.290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.479 HA :: 4.507 HB2 :: 3.864 HB3 :: 3.864 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 :: 117.959 Ave N Shift Values>> N :: 116.28(3.52) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.526 CA :: 62.468 CB :: 63.281 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.418 HA :: 4.217 HB2 :: 4.066 HB3 :: 4.066 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 :: 116.386 Ave N Shift Values>> N :: 116.28(3.52) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.37 I 0.11 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 179.218 CA :: 59.088 CB :: 30.212 CG :: 36.623 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 :: 7.842 HA :: 4.131 HB2 :: 2.229 HB3 :: 2.229 HG2 :: 2.378 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 :: 123.033 Ave N Shift Values>> N :: 120.67(3.48) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.L103 1.L103 1.N190 1.N190 C Shift Assignments>> C :: 176.929 CA :: 65.661 CB :: 37.508 CG1 :: 29.963 CG2 :: 18.287 CD1 :: 13.707 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.526 HA :: 3.457 HB :: 1.964 HG12 :: 0.496 HG13 :: 1.887 HG21 :: 0.564 HG22 :: 0.564 HG23 :: 0.564 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 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 :: 120.789 Ave N Shift Values>> N :: 121.46(4.28) 1.K124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.64 R 0.25 L 0.08 K 0.01 HN Overlap>> 1.T134 1.A156 1.T134 1.A156 C Shift Assignments>> C :: 178.106 CA :: 59.162 CB :: 28.591 CG :: 26.622 CD :: 26.634 CE :: 41.850 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 :: 8.067 HA :: 4.656 HB2 :: 1.841 HB3 :: 1.652 HG2 :: 1.581 HG3 :: 1.581 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 3.233 HE3 :: 3.233 HZ1 :: 6.657(U) HZ2 :: 6.657(U) HZ3 :: 6.657(U) 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 :: 120.276 NZ :: 30.076 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.A177 1.A177 C Shift Assignments>> C :: 178.064 CA :: 66.910 CB :: 31.185 CG1 :: 21.579 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 :: 7.300 HA :: 4.124 HB :: 2.227 HG11 :: 0.651 HG12 :: 0.651 HG13 :: 0.651 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 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 :: 118.227 Ave N Shift Values>> N :: 121.14(4.54) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.24 C 0.17 W 0.05 R 0.03 K 0.01 E 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 175.936 CA :: 61.942 CB :: 27.696 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.857 HA :: 3.229 HB2 :: 3.168 HB3 :: 3.168 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.469 Ave N Shift Values>> N :: 120.17(4.64) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 A 0.03 C Shift Assignments>> C :: 178.157 CA :: 56.648 CB :: 40.885 CG :: 25.950 CD2 :: 22.340 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 :: 7.960 HA :: 3.860 HB2 :: 1.726 HB3 :: 1.726 HG :: 0.434 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 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 :: 112.611 Ave N Shift Values>> N :: 121.86(3.9) 1.Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.23 E 0.12 M 0.05 R 0.02 C Shift Assignments>> C :: 176.358 CA :: 55.986 CB :: 29.306 CG :: 34.241 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 :: 7.409 HA :: 4.214 HB2 :: 2.088 HB3 :: 2.088 HG2 :: 2.366 HG3 :: 2.657 HE21 :: 6.769 HE22 :: 7.356 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.104 NE2 :: 110.535 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 176.580 CA :: 62.822 CB :: 38.513 CG1 :: 27.600 CG2 :: 17.918 CD1 :: 14.926 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 :: 7.445 HA :: 3.737 HB :: 1.881 HG12 :: 1.928 HG13 :: 1.928 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 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 :: 122.915 Ave N Shift Values>> N :: 121.46(4.28) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.38 M 0.07 I 0.07 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.910 CA :: 58.735 CB :: 30.683 CG :: 36.660 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 :: 8.491 HA :: 4.018 HB2 :: 2.080 HB3 :: 2.001 HG2 :: 2.249 HG3 :: 2.249 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 :: 128.608 Ave N Shift Values>> N :: 120.67(3.48) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.17 G 0.12 C 0.04 K 0.03 N 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.837 CA :: 52.189 CB :: 43.159 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 :: 7.680 HA :: 4.895 HB2 :: 2.586 HB3 :: 2.813 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 :: 120.954 Ave N Shift Values>> N :: 120.65(3.86) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.17 I 0.01 C Shift Assignments>> C :: 179.113 CA :: 65.752 CB :: 32.535 CG :: 27.686 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 :: 4.088 HB2 :: 2.057 HB3 :: 2.366 HG2 :: 2.145 HG3 :: 2.145 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.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.909 CA :: 67.252 CB :: 67.957 CG2 :: 21.830 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 :: 8.004 HA :: 4.144 HB :: 4.209 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 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 :: 115.550 Ave N Shift Values>> N :: 115.42(4.75) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.A156 1.K124 1.A156 1.K124 C Shift Assignments>> C :: 176.589 CA :: 66.985 CB :: 68.088 CG2 :: 22.120 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 :: 8.081 HA :: 3.959 HB :: 4.184 HG21 :: 1.391 HG22 :: 1.391 HG23 :: 1.391 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 :: 120.312 Ave N Shift Values>> N :: 115.42(4.75) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.36 K 0.06 G 0.03 C Shift Assignments>> C :: 177.731 CA :: 60.822 CB :: 30.981 CG :: 27.074 CD :: 42.646 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 :: 8.545 HA :: 3.918 HB2 :: 1.897 HB3 :: 1.897 HG2 :: 1.754 HG3 :: 1.754 HD2 :: 3.229 HD3 :: 3.229 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 :: 124.759 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.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.42 R 0.05 HN Overlap>> 1.T153 1.T153 C Shift Assignments>> C :: 178.337 CA :: 60.608 CB :: 32.009 CG :: 25.151 CD :: 29.477 CE :: 41.932 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 :: 7.987 HA :: 3.966 HB2 :: 1.989 HB3 :: 1.989 HG2 :: 1.699 HG3 :: 1.699 HD2 :: 1.836 HD3 :: 1.836 HE2 :: 3.123 HE3 :: 3.123 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 :: 118.559 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.2 F 0.15 N 0.13 E 0.13 D 0.04 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 178.080 CA :: 56.020 CB :: 37.677 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 :: 8.232 HA :: 4.403 HB2 :: 2.951 HB3 :: 2.951 HD21 :: 6.781 HD22 :: 7.516 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 :: 118.083 ND2 :: 110.926 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 F 0.13 C Shift Assignments>> C :: 179.113 CA :: 61.204 CB :: 39.581 CD1 :: 131.719 CD2 :: 131.719 CE1 :: 132.282 CE2 :: 132.282 CZ :: 133.600 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 :: 8.491 HA :: 4.109 HB2 :: 3.453 HB3 :: 3.028 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 7.401 HE2 :: 7.401 HZ :: 7.487 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.939 Ave N Shift Values>> N :: 120.45(4.18) 1.M139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.42 I 0.03 A 0.02 HN Overlap>> 1.L165 1.L165 C Shift Assignments>> C :: 177.617 CA :: 57.655 CB :: 31.394 CE :: 16.991 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 :: 8.288 HA :: 4.488 HB2 :: 2.200 HB3 :: 2.200 HG2 :: 2.703 HG3 :: 2.703 HE1 :: 2.002 HE2 :: 2.002 HE3 :: 2.002 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 :: 120.384 Ave N Shift Values>> N :: 120.09(3.57) 1.H140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.14 R 0.11 E 0.1 H 0.09 K 0.09 V 0.08 M 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 177.209 CA :: 59.235 CB :: 31.322 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 :: 8.773 HA :: 3.950 HB2 :: 3.421 HB3 :: 3.144 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 7.916 HE2 :: 7.916 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 :: 119.598 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.841 CA :: 47.205 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.596 HA2 :: 3.645 HA3 :: 3.779 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.701 Ave N Shift Values>> N :: 109.67(3.87) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 K 0.03 C Shift Assignments>> C :: 179.783 CA :: 57.684 CB :: 41.541 CG :: 26.170 CD2 :: 23.170 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 :: 7.447 HA :: 4.059 HB2 :: 1.485 HB3 :: 1.485 HG :: 1.110 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 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 :: 120.880 Ave N Shift Values>> N :: 121.86(3.9) 1.I143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 178.099 CA :: 63.135 CB :: 37.053 CG1 :: 28.241 CG2 :: 18.543 CD1 :: 13.005 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 :: 7.906 HA :: 3.597 HB :: 1.856 HG12 :: 1.163 HG13 :: 1.832 HG21 :: 0.471 HG22 :: 0.471 HG23 :: 0.471 HD11 :: 0.518 HD12 :: 0.518 HD13 :: 0.518 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 :: 118.464 Ave N Shift Values>> N :: 121.46(4.28) 1.Y144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 1.R155 1.V158 1.R155 1.V158 C Shift Assignments>> C :: 176.451 CA :: 61.049 CB :: 38.554 CE1 :: 118.576 CE2 :: 118.576 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 :: 8.423 HA :: 4.107 HB2 :: 3.017 HB3 :: 2.983 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 6.723 HE2 :: 6.723 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 :: 119.037 Ave N Shift Values>> N :: 120.52(4.2) 1.N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.29 L 0.1 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 175.307 CA :: 53.154 CB :: 39.832 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 :: 7.235 HA :: 4.701 HB2 :: 2.782 HB3 :: 2.782 HD21 :: 7.586 HD22 :: 6.835 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 :: 112.863 ND2 :: 113.692 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.2 K 0.04 G 0.04 R 0.01 HN Overlap>> 1.R163 1.R163 C Shift Assignments>> C :: 174.939 CA :: 54.213 CB :: 42.863 CG :: 26.394 CD2 :: 24.471 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 :: 7.646 HA :: 4.592 HB2 :: 1.606 HB3 :: 1.606 HD11 :: 0.995 HD12 :: 0.995 HD13 :: 0.995 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.929 Ave N Shift Values>> N :: 121.86(3.9) 1.P147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.35 P 0.31 C 0.19 W 0.04 K 0.01 R 0.01 I 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 176.382 CA :: 62.303 CB :: 31.958 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 :: 4.119 HB2 :: 2.402 HB3 :: 2.402 HG2 :: 2.097 HG3 :: 2.097 HD2 :: 3.594 HD3 :: 3.594 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.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.2 K 0.18 C 0.11 L 0.08 I 0.08 D 0.03 R 0.02 HN Overlap>> 1.D212 1.D76 1.D212 1.D76 C Shift Assignments>> C :: 177.123 CA :: 58.920 CB :: 41.338 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 :: 8.398 HA :: 4.392 HB2 :: 2.925 HB3 :: 2.757 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 :: 119.630 Ave N Shift Values>> N :: 120.65(3.86) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.23 I 0.08 C 0.03 C Shift Assignments>> C :: 179.388 CA :: 56.084 CB :: 18.177 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.065 HA :: 4.314 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.516 Ave N Shift Values>> N :: 123.23(3.54) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 C 0.34 R 0.06 K 0.04 Q 0.01 I 0.01 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 176.819 CA :: 62.045 CB :: 27.692 CG :: 32.243 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 :: 8.300 HA :: 3.887 HB2 :: 2.087 HB3 :: 2.087 HG2 :: 2.257 HG3 :: 2.386 HE21 :: 6.667 HE22 :: 6.732 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 :: 118.522 NE2 :: 110.278 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 176.799 CA :: 63.231 CB :: 39.007 CD1 :: 133.270 CD2 :: 133.270 CE1 :: 118.761 CE2 :: 118.761 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 :: 8.701 HA :: 3.798 HB2 :: 2.654 HB3 :: 2.807 HD1 :: 5.904(S) HD2 :: 5.904(S) HE1 :: 5.767(S) HE2 :: 5.767(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.777 Ave N Shift Values>> N :: 120.52(4.2) 1.W152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.18 W 0.16 E 0.09 K 0.08 H 0.06 R 0.06 Q 0.05 V 0.04 M 0.01 C Shift Assignments>> C :: 180.335 CA :: 60.533 CB :: 29.307 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.588 HA :: 4.320 HB2 :: 3.285 HB3 :: 3.285 HE1 :: 9.989 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.322 NE1 :: 124.405 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.K104 1.K136 1.K104 1.K136 C Shift Assignments>> C :: 175.337 CA :: 68.752 CB :: 67.775 CG2 :: 22.607 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 :: 8.093 HA :: 4.097 HB :: 4.318 HG21 :: 1.464 HG22 :: 1.464 HG23 :: 1.464 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 :: 118.559 Ave N Shift Values>> N :: 115.42(4.75) 1.L154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.37 K 0.09 C Shift Assignments>> C :: 178.553 CA :: 59.860 CB :: 41.834 CG :: 26.512 CD2 :: 23.809 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 :: 8.583 HA :: 4.317 HB2 :: 1.827 HB3 :: 1.827 HG :: 1.586 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.446 Ave N Shift Values>> N :: 121.86(3.9) 1.R155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.27 R 0.2 L 0.08 HN Overlap>> 1.Y144 1.Y144 C Shift Assignments>> C :: 178.093 CA :: 59.101 CB :: 28.610 CG :: 26.527 CD :: 42.092 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 :: 8.333 HG2 :: 1.752 HG3 :: 1.752 HD2 :: 3.224 HD3 :: 3.224 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 :: 119.045 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.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.44 C 0.04 I 0.03 HN Overlap>> 1.T134 1.T134 1.K124 1.K124 C Shift Assignments>> C :: 180.867 CA :: 55.345 CB :: 18.719 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.079 HA :: 4.088 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.199 Ave N Shift Values>> N :: 123.23(3.54) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.37 K 0.08 G 0.04 R 0.03 C Shift Assignments>> C :: 179.761 CA :: 58.189 CB :: 43.007 CG :: 26.630 CD2 :: 24.883 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 :: 8.439 HA :: 4.178 HB2 :: 1.619 HB3 :: 1.619 HG :: 1.847 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 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 :: 116.244 Ave N Shift Values>> N :: 121.86(3.9) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.31 HN Overlap>> 1.Y144 1.Y144 C Shift Assignments>> C :: 177.624 CA :: 64.772 CB :: 27.348 CG1 :: 18.123 CG2 :: 18.141 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 :: 8.486 HA :: 4.312 HB :: 1.937 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 119.027 Ave N Shift Values>> N :: 121.14(4.54) 1.F159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.3 C 0.25 C Shift Assignments>> C :: 176.568 CA :: 66.144 CB :: 38.705 CD1 :: 132.492 CD2 :: 132.492 CE1 :: 130.701 CE2 :: 130.701 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 :: 8.441 HA :: 3.322 HB2 :: 1.935 HB3 :: 1.935 HD1 :: 6.959 HD2 :: 6.959 HE1 :: 6.597 HE2 :: 6.597 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 :: 122.259 Ave N Shift Values>> N :: 120.45(4.18) 1.H160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 2.997 HB3 :: 2.997 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) 1.L161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.46 R 0.41 G 0.08 K 0.03 C Shift Assignments>> C :: 180.146 CA :: 59.579 CB :: 30.901 CD :: 27.237 CE :: 43.497 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>> HA :: 3.961 HB2 :: 2.034 HB3 :: 2.034 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 3.164 HE3 :: 3.164 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) 1.R163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.34 G 0.13 K 0.01 HN Overlap>> 1.L146 1.L146 C Shift Assignments>> C :: 178.770 CA :: 60.931 CB :: 30.582 CG :: 27.345 CD :: 43.570 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 :: 7.595 HA :: 4.259 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.690 HG3 :: 1.690 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 :: 122.957 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.V164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.11 P 0.08 I 0.06 C Shift Assignments>> C :: 180.286 CA :: 67.595 CB :: 31.011 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 :: 7.899 HA :: 3.371 HB :: 2.432 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.018 Ave N Shift Values>> N :: 121.14(4.54) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.31 K 0.28 HN Overlap>> 1.M139 1.M139 C Shift Assignments>> C :: 180.133 CA :: 57.753 CB :: 41.894 CG :: 27.463 CD2 :: 24.026 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 :: 8.254 HA :: 3.989 HB2 :: 1.733 HB3 :: 1.733 HG :: 1.673 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 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 :: 120.462 Ave N Shift Values>> N :: 121.86(3.9) 1.A166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 C 0.01 I 0.01 HN Overlap>> 1.I5 1.I5 C Shift Assignments>> C :: 179.142 CA :: 54.283 CB :: 17.882 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.922 HA :: 4.341 HB1 :: 1.662 HB2 :: 1.662 HB3 :: 1.662 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.244 Ave N Shift Values>> N :: 123.23(3.54) 1.H167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 C 0.11 E 0.11 R 0.1 M 0.03 L 0.02 I 0.01 HN Overlap>> 1.F107 1.F107 C Shift Assignments>> C :: 174.895 CA :: 55.581 CB :: 28.977 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 :: 7.895 HA :: 4.024 HB2 :: 2.915 HB3 :: 3.360 HD1 :: 6.777 HD2 :: 6.777 HE1 :: 7.892 HE2 :: 7.892 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 :: 117.374 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 K 0.12 Q 0.1 I 0.1 M 0.01 C Shift Assignments>> C :: 178.111 CA :: 59.326 CB :: 29.334 CG :: 35.455 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 :: 7.687 HA :: 4.604 HB2 :: 1.985 HB3 :: 2.121 HG2 :: 2.501 HG3 :: 2.501 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 :: 125.068 Ave N Shift Values>> N :: 120.67(3.48) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 178.776 CA :: 55.407 CB :: 17.976 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.805 HA :: 4.046 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.321 Ave N Shift Values>> N :: 123.23(3.54) 1.Q170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.33 Q 0.15 K 0.06 C Shift Assignments>> C :: 176.797 CA :: 58.211 CB :: 31.374 CG :: 32.543 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 :: 7.705 HA :: 4.567 HB2 :: 2.331 HB3 :: 2.331 HG2 :: 2.506 HG3 :: 2.506 HE21 :: 6.726 HE22 :: 7.521 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 :: 112.014 NE2 :: 112.306 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.15 Y 0.12 C 0.12 F 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.950 CA :: 54.335 CB :: 38.630 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 :: 8.448 HA :: 4.385 HB2 :: 3.117 HB3 :: 2.730 HD21 :: 7.608 HD22 :: 8.558 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 :: 114.628 ND2 :: 115.250 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.33 R 0.16 K 0.07 G 0.03 C Shift Assignments>> C :: 176.171 CA :: 56.816 CB :: 26.755 CG :: 27.095 CD :: 42.837 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 :: 8.746 HA :: 4.055 HB2 :: 2.143 HB3 :: 2.138 HG2 :: 1.633 HG3 :: 1.633 HD2 :: 3.194 HD3 :: 3.194 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 :: 114.015 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.M173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 C 0.14 K 0.12 R 0.12 W 0.11 E 0.07 M 0.05 L 0.02 C Shift Assignments>> C :: 172.412 CA :: 53.422 CB :: 29.304 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 :: 9.368 HA :: 4.046 HB2 :: 2.133 HB3 :: 2.133 HG2 :: 2.482 HG3 :: 2.482 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 :: 122.228 Ave N Shift Values>> N :: 120.09(3.57) 1.N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.26 C 0.07 L 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.914 CA :: 50.782 CB :: 39.894 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 :: 6.687 HA :: 4.800 HB2 :: 2.942 HB3 :: 3.213 HD21 :: 6.704 HD22 :: 7.739 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 :: 114.499 ND2 :: 112.699 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.3 L 0.23 I 0.03 G 0.01 C Shift Assignments>> C :: 176.823 CA :: 59.965 CB :: 41.961 CD2 :: 23.759 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 :: 8.483 HA :: 4.329 HB2 :: 1.656 HB3 :: 1.656 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 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 :: 119.943 Ave N Shift Values>> N :: 121.86(3.9) 1.R176 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.47 R 0.32 K 0.13 G 0.05 C Shift Assignments>> C :: 176.340 CA :: 58.899 CB :: 30.207 CG :: 25.685 CD :: 43.236 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 2.019(S) HD2 :: 1.966(S) HD3 :: 1.966(S) 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) 1.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.02 C 0.01 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 181.082 CA :: 54.761 CB :: 17.688 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.264 HA :: 4.016 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.275 Ave N Shift Values>> N :: 123.23(3.54) 1.L178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.34 K 0.19 C Shift Assignments>> C :: 178.078 CA :: 57.931 CB :: 41.892 CG :: 26.981 CD1 :: 23.949 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 :: 7.830 HA :: 3.899 HB2 :: 1.550 HB3 :: 1.550 HG :: 1.681 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.973 HD22 :: 0.973 HD23 :: 0.973 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 :: 117.960 Ave N Shift Values>> N :: 121.86(3.9) 1.C179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.12 I 0.09 P 0.09 C Shift Assignments>> C :: 177.775 CA :: 67.491 CB :: 30.794 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.009 HA :: 3.095 HB2 :: 1.658 HB3 :: 1.658 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.834 Ave N Shift Values>> N :: 120.17(4.64) 1.I180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 172.944 CA :: 60.826 CB :: 36.471 CG1 :: 27.240 CG2 :: 17.658 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 :: 8.270 HA :: 4.257 HB :: 1.859 HG12 :: 1.415 HG13 :: 1.415 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 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 :: 117.833 Ave N Shift Values>> N :: 121.46(4.28) 1.I181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 178.244 CA :: 62.909 CB :: 38.850 CG1 :: 27.232 CG2 :: 17.290 CD1 :: 13.455 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 :: 7.190 HA :: 3.779 HB :: 1.802 HG12 :: 1.455 HG13 :: 1.265 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 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 :: 116.180 Ave N Shift Values>> N :: 121.46(4.28) 1.W182 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 H 0.01 C Shift Assignments>> C :: 178.499 CA :: 60.238 CB :: 30.363 CD1 :: 130.575 CD2 :: 130.575 CE2 :: 120.092 CE3 :: 120.092 CZ2 :: 122.676(S) CZ3 :: 122.676 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.595 HA :: 4.263 HB2 :: 3.095 HB3 :: 3.036 HD1 :: 7.159 HE1 :: 10.332 HE3 :: 7.394 HZ2 :: 6.775 HZ3 :: 6.775 HH2 :: 7.016 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.467 NE1 :: 128.630 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G183 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> C :: 173.072 CA :: 50.198(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.938 HA2 :: 3.505 HA3 :: 3.888 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.500 Ave N Shift Values>> N :: 109.67(3.87) 1.P184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 175.833 CA :: 64.138 CB :: 31.359 CG :: 27.252 CD :: 51.242 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 :: 4.381 HG2 :: 2.033 HG3 :: 2.033 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.T185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 174.629 CA :: 64.117 CB :: 69.841 CG2 :: 23.745 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 :: 7.258 HA :: 4.373 HB :: 4.246 HG21 :: 1.300 HG22 :: 1.300 HG23 :: 1.300 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 :: 110.928 Ave N Shift Values>> N :: 115.42(4.75) 1.I186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.I201 1.I201 1.V15 1.V15 C Shift Assignments>> C :: 173.023 CA :: 60.880 CB :: 39.494 CG1 :: 26.954 CG2 :: 17.422 CD1 :: 12.844 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 :: 7.778 HA :: 3.837 HB :: 1.887 HG12 :: 1.457 HG13 :: 1.256 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 119.056 Ave N Shift Values>> N :: 121.46(4.28) 1.A187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 G 0.06 M 0.02 C 0.01 C Shift Assignments>> C :: 175.042 CA :: 48.918 CB :: 18.934 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.300 HA :: 4.943 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 123.23(3.54) 1.P188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 P 0.27 C Shift Assignments>> C :: 173.970 CA :: 62.066 CB :: 32.981 CG :: 24.887 CD :: 50.444 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.004 HB2 :: 2.094 HB3 :: 2.483 HG2 :: 1.943 HG3 :: 1.878 HD2 :: 3.554 HD3 :: 3.554 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.A189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 HN Overlap>> 1.D35 1.D35 C Shift Assignments>> C :: 177.323 CA :: 51.325 CB :: 19.671 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.916 HA :: 4.052 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.217 Ave N Shift Values>> N :: 123.23(3.54) 1.N190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.11 C 0.09 F 0.03 Y 0.02 L 0.02 HN Overlap>> 1.I123 1.I123 C Shift Assignments>> C :: 177.334 CA :: 51.013 CB :: 38.454 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 :: 8.480 HA :: 4.062 HB2 :: 3.043 HB3 :: 3.043 HD21 :: 7.826 HD22 :: 6.846 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 :: 120.697 ND2 :: 113.723 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.960 CA :: 64.076 CB :: 31.912 CG :: 27.227 CD :: 50.474 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 :: 4.166 HB2 :: 2.294 HB3 :: 2.294 HG2 :: 1.842 HG3 :: 1.842 HD2 :: 3.370 HD3 :: 3.567 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.D192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.23 K 0.16 R 0.11 F 0.07 Y 0.04 C 0.04 N 0.03 C Shift Assignments>> C :: 176.281 CA :: 54.520 CB :: 42.204 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 :: 4.597 HB2 :: 2.482 HB3 :: 2.707 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 :: 115.319 Ave N Shift Values>> N :: 120.65(3.86) 1.D193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 F 0.1 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> C :: 175.294 CA :: 54.328 CB :: 40.898 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 :: 6.870 HA :: 4.476 HB2 :: 2.671 HB3 :: 2.547 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.798 Ave N Shift Values>> N :: 120.65(3.86) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.35 C 0.02 I 0.01 C Shift Assignments>> C :: 178.100 CA :: 54.461 CB :: 18.624 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.796 HA :: 4.103 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.954 Ave N Shift Values>> N :: 123.23(3.54) 1.N195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.21 C 0.08 F 0.08 Y 0.07 L 0.06 C Shift Assignments>> C :: 175.402 CA :: 53.362 CB :: 39.085 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 :: 8.170 HA :: 4.718 HD21 :: 7.346 HD22 :: 6.766 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.375 ND2 :: 111.066 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.18 F 0.07 K 0.05 Y 0.05 C 0.05 HN Overlap>> 1.L71 1.L71 C Shift Assignments>> C :: 177.067 CA :: 53.473 CB :: 40.901 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 :: 7.350 HA :: 4.784 HB2 :: 2.988 HB3 :: 2.718 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 :: 119.546 Ave N Shift Values>> N :: 120.65(3.86) 1.V197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 P 0.4 C 0.13 W 0.01 C Shift Assignments>> C :: 177.381 CA :: 63.428 CB :: 32.319 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 :: 8.159 HA :: 4.508 HB :: 2.245 HG11 :: 1.110 HG12 :: 1.110 HG13 :: 1.110 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.027 Ave N Shift Values>> N :: 121.14(4.54) 1.N198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 C 0.18 N 0.07 I 0.06 D 0.06 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 176.600 CA :: 56.808 CB :: 38.448 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 :: 8.334 HA :: 4.550 HB2 :: 2.806 HB3 :: 2.806 HD21 :: 7.745 HD22 :: 6.875 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 :: 120.022 ND2 :: 114.078 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.34 C 0.14 C Shift Assignments>> C :: 175.823 CA :: 61.421 CB :: 41.066 CD1 :: 131.688 CD2 :: 131.688 CE1 :: 131.387 CE2 :: 131.387 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.637 HA :: 4.056 HB2 :: 3.435 HB3 :: 3.107 HD1 :: 7.270 HD2 :: 7.270 HE1 :: 7.058 HE2 :: 7.058 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 :: 121.256 Ave N Shift Values>> N :: 120.45(4.18) 1.Q200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.23 E 0.08 M 0.05 R 0.01 I 0.01 HN Overlap>> 1.M204 1.M204 C Shift Assignments>> C :: 177.982 CA :: 58.884 CB :: 29.638 CG :: 33.843 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 :: 7.488 HA :: 4.059 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.458 HE22 :: 6.771 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 :: 115.680 NE2 :: 113.082 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> 1.I186 1.V15 1.I186 1.V15 C Shift Assignments>> C :: 177.879 CA :: 66.070 CB :: 38.675 CG1 :: 28.658 CG2 :: 17.123 CD1 :: 14.436 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 :: 7.759 HA :: 3.442 HB :: 1.929 HG12 :: 1.661 HG13 :: 1.661 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 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 :: 119.035 Ave N Shift Values>> N :: 121.46(4.28) 1.M202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.17 M 0.13 R 0.1 W 0.08 Q 0.08 H 0.08 V 0.06 E 0.06 C Shift Assignments>> C :: 178.790 CA :: 58.137 CB :: 32.562 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 :: 8.500 HA :: 4.512 HB2 :: 1.896 HB3 :: 2.717 HG2 :: 2.480 HG3 :: 2.718 HE1 :: 2.370 HE2 :: 2.370 HE3 :: 2.370 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 :: 117.632 Ave N Shift Values>> N :: 120.09(3.57) 1.A203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.24 I 0.05 C 0.02 C Shift Assignments>> C :: 178.655 CA :: 55.626 CB :: 17.648 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.949 HA :: 3.748 HB1 :: 1.190 HB2 :: 1.190 HB3 :: 1.190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.614 Ave N Shift Values>> N :: 123.23(3.54) 1.M204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.42 Q 0.11 K 0.02 HN Overlap>> 1.Q200 1.Q200 C Shift Assignments>> C :: 176.987 CA :: 57.308 CB :: 32.380 CG :: 31.998 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 :: 7.471 HA :: 4.201 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.892 HG3 :: 1.892 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 :: 115.659 Ave N Shift Values>> N :: 120.09(3.57) 1.E205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 I 0.37 E 0.15 HN Overlap>> 1.K89 1.V114 1.K89 1.V114 C Shift Assignments>> C :: 179.107 CA :: 61.164 CB :: 29.913 CG :: 37.285 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 :: 8.153 HA :: 4.199 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.324 HG3 :: 2.324 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 :: 120.980 Ave N Shift Values>> N :: 120.67(3.48) 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.772 CA :: 66.040 CB :: 31.356 CG2 :: 22.609 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 :: 8.052 HA :: 3.794 HB :: 2.012 HG11 :: 0.978 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 118.945 Ave N Shift Values>> N :: 121.14(4.54) 1.L207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 L 0.21 R 0.06 C Shift Assignments>> C :: 178.663 CA :: 58.683 CB :: 42.239 CG :: 27.919 CD2 :: 25.150 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 :: 7.994 HA :: 3.938 HB2 :: 2.003 HB3 :: 1.653 HG :: 1.576 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 120.492 Ave N Shift Values>> N :: 121.86(3.9) 1.L208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.44 K 0.09 C Shift Assignments>> C :: 180.574 CA :: 58.385 CB :: 40.751 CG :: 26.899 CD2 :: 23.727 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 :: 8.295 HA :: 4.137 HB2 :: 2.121 HB3 :: 1.732 HG :: 1.704 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 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 :: 117.086 Ave N Shift Values>> N :: 121.86(3.9) 1.E209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 I 0.13 K 0.03 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.858 CA :: 59.511 CB :: 30.134 CG :: 36.526 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 :: 8.334 HA :: 4.129 HB2 :: 2.367 HB3 :: 2.146 HG2 :: 2.360 HG3 :: 2.446 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 :: 121.737 Ave N Shift Values>> N :: 120.67(3.48) 1.V210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 177.234 CA :: 61.301 CB :: 33.203 CG1 :: 20.727 CG2 :: 22.605 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 :: 7.887 HA :: 4.594 HB :: 2.243 HG11 :: 1.098 HG12 :: 1.098 HG13 :: 1.098 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 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 :: 113.598 Ave N Shift Values>> N :: 121.14(4.54) 1.S211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V15 1.M84 1.V15 1.M84 C Shift Assignments>> C :: 174.800 CA :: 61.363 CB :: 63.194 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.638 HA :: 4.369 HB2 :: 3.894 HB3 :: 3.894 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.944 Ave N Shift Values>> N :: 116.28(3.52) 1.D212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 D 0.13 L 0.13 C 0.11 K 0.05 I 0.04 N 0.03 HN Overlap>> 1.D148 1.D148 C Shift Assignments>> C :: 177.049 CA :: 57.025 CB :: 40.364 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 :: 8.293 HA :: 4.382 HB2 :: 2.841 HB3 :: 2.656 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 :: 119.591 Ave N Shift Values>> N :: 120.65(3.86) 1.Q213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.18 M 0.14 E 0.1 C Shift Assignments>> C :: 177.019 CA :: 57.142 CB :: 30.200 CG :: 33.963 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 :: 7.689 HA :: 4.398 HB2 :: 2.036 HB3 :: 2.020 HG2 :: 2.265 HG3 :: 2.265 HE21 :: 7.859 HE22 :: 6.865 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.269 NE2 :: 112.651 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.09 C 0.04 L 0.03 C Shift Assignments>> C :: 176.554 CA :: 53.661 CB :: 19.971 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.042 HA :: 3.715 HB1 :: 0.714 HB2 :: 0.714 HB3 :: 0.714 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.290 Ave N Shift Values>> N :: 123.23(3.54) 1.F215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.38 C Shift Assignments>> C :: 175.388 CA :: 56.470 CB :: 41.170 CD1 :: 133.348 CD2 :: 133.348 CE1 :: 131.099 CE2 :: 131.099 CZ :: 129.758 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.566 HA :: 4.002 HB2 :: 3.050 HB3 :: 3.050 HD1 :: 7.894 HD2 :: 7.894 HE1 :: 7.313 HE2 :: 7.313 HZ :: 7.144 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 :: 112.130 Ave N Shift Values>> N :: 120.45(4.18) 1.E216 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P217 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 P 0.02 C Shift Assignments>> C :: 175.500 CA :: 62.736 CB :: 32.843 CG :: 30.888(S) CD :: 50.885 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 :: 4.710 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 1.928 HG3 :: 2.376 HD2 :: 3.875 HD3 :: 3.628 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.E218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.09 K 0.04 Q 0.03 I 0.03 C Shift Assignments>> C :: 180.418 CA :: 57.276 CB :: 30.449 CG :: 36.418 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 :: 7.933 HA :: 4.179 HB2 :: 1.932 HB3 :: 1.932 HG2 :: 2.243 HG3 :: 2.243 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 :: 128.135 Ave N Shift Values>> N :: 120.67(3.48) 1.L219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.26 K 0.12 G 0.02 A 0.01 C Shift Assignments>> C :: 176.474 CA :: 55.439 CB :: 42.682 CG :: 27.024 CD2 :: 23.712 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 :: 8.062 HA :: 4.396 HB2 :: 1.585 HB3 :: 1.585 HG :: 1.614 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.058 Ave N Shift Values>> N :: 121.86(3.9) 1.E220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.36 M 0.13 I 0.02 Q 0.01 C Shift Assignments>> C :: 180.864 CA :: 58.146 CB :: 31.419 CG :: 36.730 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 :: 7.751 HA :: 4.232 HB2 :: 2.046 HB3 :: 1.937 HG2 :: 2.214 HG3 :: 2.214 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 :: 125.892 Ave N Shift Values>> N :: 120.67(3.48) 1.H221 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H222 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H223 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H224 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H225 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H226 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 218 #Clerical: 2 #Suspicious: 5 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 204 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 20 Shift Relative Order (SRO) Results: #Consistent: 226 #Suspicious: 0 C Shift Results: #Consistent: 850 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1416 #Duplicate: 0 #Unknown: 6 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 210 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K17 HZ1 = 7.048(U) 1.K17 HZ2 = 7.048(U) 1.K17 HZ3 = 7.048(U) 1.F107 HD1 = 5.933(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.7746e-04 1.F107 HD2 = 5.933(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.7746e-04 1.K124 HZ1 = 6.657(U) 1.K124 HZ2 = 6.657(U) 1.K124 HZ3 = 6.657(U) 1.Y151 HD1 = 5.904(S), Expected = 6.93, Std = 0.3000, ChiSquare = 6.2621e-04 1.Y151 HD2 = 5.904(S), Expected = 6.93, Std = 0.3000, ChiSquare = 6.2621e-04 1.Y151 HE1 = 5.767(S), Expected = 6.70, Std = 0.2300, ChiSquare = 4.9809e-05 1.Y151 HE2 = 5.767(S), Expected = 6.71, Std = 0.2300, ChiSquare = 4.1315e-05 1.R176 HA = 2.019(S), Expected = 4.30, Std = 0.4600, ChiSquare = 7.0968e-07 1.R176 HD2 = 1.966(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.5219e-06 1.R176 HD3 = 1.966(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.2915e-05 1.W182 Typing: Suspicious 1.W182 CZ2 = 122.676(S), Expected = 114.26, Std = 1.1200, ChiSquare = 5.7222e-14 1.G183 Typing: Mistyped 1.G183 CA = 50.198(S), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9699e-04 1.P217 CG = 30.888(S), Expected = 27.17, Std = 1.0900, ChiSquare = 6.4723e-04