Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.14 Q 0.05 K 0.04 I 0.01 HN Overlap>> 1.D158 1.D158 C Shift Assignments>> C :: 176.240 CA :: 56.190 CB :: 30.611 CG :: 36.204 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 :: 8.321 HA :: 4.345 HB2 :: 1.884 HB3 :: 2.032 HG2 :: 2.212 HG3 :: 2.212 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.509 Ave N Shift Values>> N :: 120.67(3.48) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.305 CB :: 63.241 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.349 HA :: 4.342 HB2 :: 3.766 HB3 :: 3.860 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 :: 118.728 Ave N Shift Values>> N :: 116.28(3.52) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.027 CA :: 63.271 CB :: 32.111 CG :: 27.552 CD :: 50.801 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 :: 4.427 HB2 :: 2.336 HB3 :: 2.336 HG2 :: 2.008 HG3 :: 2.008 HD2 :: 3.665 HD3 :: 3.819 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.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 G 0.01 C Shift Assignments>> C :: 177.015 CA :: 56.455 CB :: 33.341 CG :: 24.808 CD :: 28.857 CE :: 42.313 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 :: 8.445 HA :: 4.290 HB2 :: 1.748 HB3 :: 1.811 HG2 :: 1.432 HG3 :: 1.489 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.970 HE3 :: 2.970 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 :: 121.819 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 K 0.1 Q 0.08 M 0.06 I 0.01 HN Overlap>> 1.D95 1.D95 C Shift Assignments>> CA :: 54.480 CB :: 29.572 CG :: 36.183 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 :: 8.313 HA :: 4.606 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 2.287 HG3 :: 2.287 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 :: 121.243 Ave N Shift Values>> N :: 120.67(3.48) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.491 CA :: 63.587 CB :: 32.374 CG :: 27.612 CD :: 50.835 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 :: 4.335 HB2 :: 1.876 HB3 :: 2.393 HG2 :: 1.654 HG3 :: 2.042 HD2 :: 3.867 HD3 :: 3.631 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.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 I 0.17 K 0.04 M 0.02 Q 0.01 HN Overlap>> 1.T153 1.T153 C Shift Assignments>> C :: 177.984 CA :: 59.651 CB :: 29.819 CG :: 36.575 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 :: 8.692 HA :: 3.686 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 2.130 HG3 :: 2.130 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 :: 123.071 Ave N Shift Values>> N :: 120.67(3.48) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.23 R 0.09 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.579 CA :: 58.526 CB :: 28.112 CG :: 33.686 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 :: 8.647 HA :: 3.979 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.323 HG3 :: 2.381 HE21 :: 6.838 HE22 :: 7.478 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 :: 116.079 NE2 :: 111.565 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.32 R 0.1 A 0.02 G 0.01 HN Overlap>> 1.K162 1.K162 C Shift Assignments>> C :: 177.080 CA :: 55.945 CB :: 42.317 CG :: 27.632 CD1 :: 25.337 CD2 :: 22.930 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 :: 7.471 HA :: 4.264 HB2 :: 1.688 HB3 :: 1.643 HG :: 1.637 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 116.530 Ave N Shift Values>> N :: 121.86(3.9) 1.R15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 G 0.21 K 0.09 R 0.02 C Shift Assignments>> C :: 172.996 CA :: 56.067 CB :: 29.944 CG :: 31.052 CD :: 43.816 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 :: 7.576 HA :: 4.417 HB2 :: 1.042 HB3 :: 1.395 HG2 :: 1.543 HG3 :: 2.564(S) HD2 :: 2.896 HD3 :: 3.072 HE :: 6.936 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.981 NE :: 85.131 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.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.43 R 0.03 C Shift Assignments>> CA :: 55.301 CB :: 35.888 CG :: 24.508 CD :: 29.524 CE :: 41.361 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.946 HA :: 5.198 HB2 :: 1.652 HB3 :: 1.652 HG2 :: 1.437 HG3 :: 1.097 HD2 :: 1.244 HD3 :: 1.270 HE2 :: 2.373 HE3 :: 2.373 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 :: 119.990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.35 C 0.12 C Shift Assignments>> C :: 176.309 CA :: 53.334 CB :: 45.062 CG :: 26.526 CD1 :: 24.718 CD2 :: 25.162 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 :: 9.605 HA :: 5.016 HB2 :: 1.099 HB3 :: 1.524 HG :: 1.560 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 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 :: 126.081 Ave N Shift Values>> N :: 121.86(3.9) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.36 C 0.17 C Shift Assignments>> C :: 174.362 CA :: 57.153 CB :: 40.603 CD1 :: 131.560 CD2 :: 131.560 CE1 :: 131.468 CE2 :: 131.468 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 :: 9.023 HA :: 4.585 HB2 :: 2.923 HB3 :: 3.012 HD1 :: 6.933 HD2 :: 6.933 HE1 :: 7.467 HE2 :: 7.467 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 :: 123.569 Ave N Shift Values>> N :: 120.45(4.18) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.37 HN Overlap>> 1.I135 1.M47 1.I135 1.M47 C Shift Assignments>> C :: 173.832 CA :: 59.156 CB :: 36.909 CG1 :: 26.405 CG2 :: 19.521 CD1 :: 12.290 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 :: 8.486 HA :: 4.029 HB :: 1.509 HG12 :: 0.951 HG13 :: 0.808 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 HD11 :: 0.126 HD12 :: 0.126 HD13 :: 0.126 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.932 Ave N Shift Values>> N :: 121.46(4.28) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.426 CA :: 43.611 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.948 HA2 :: 3.761 HA3 :: 4.446 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.953 Ave N Shift Values>> N :: 109.67(3.87) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.563 CA :: 46.530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.542 HA2 :: 3.941 HA3 :: 3.770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.584 Ave N Shift Values>> N :: 109.67(3.87) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.23 R 0.16 G 0.05 A 0.02 C Shift Assignments>> C :: 179.121 CA :: 54.192 CB :: 42.892 CG :: 26.945 CD1 :: 23.843 CD2 :: 26.565 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 :: 7.472 HA :: 4.025 HB2 :: 1.280 HB3 :: 0.921 HG :: 1.299 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.457 HD22 :: 0.457 HD23 :: 0.457 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 :: 115.232 Ave N Shift Values>> N :: 121.86(3.9) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.842 CA :: 57.635 CB :: 63.106 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.136 HA :: 4.125 HB2 :: 3.915 HB3 :: 3.976 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 :: 114.737 Ave N Shift Values>> N :: 116.28(3.52) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.33 C 0.31 C Shift Assignments>> C :: 175.626 CA :: 60.205 CB :: 37.570 CD1 :: 131.137 CD2 :: 131.137 CE1 :: 131.883 CE2 :: 131.883 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 :: 9.034 HA :: 4.307 HB2 :: 3.062 HB3 :: 3.312 HD1 :: 7.236 HD2 :: 7.236 HE1 :: 7.261 HE2 :: 7.261 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 :: 128.194 Ave N Shift Values>> N :: 120.45(4.18) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.36 M 0.06 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 177.429 CA :: 56.522 CB :: 29.980 CG :: 36.700 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 :: 8.295 HA :: 4.255 HB2 :: 2.112 HB3 :: 1.800 HG2 :: 2.189 HG3 :: 2.159 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 :: 116.093 Ave N Shift Values>> N :: 120.67(3.48) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.238 CA :: 64.862 CB :: 68.584 CG2 :: 23.581 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 :: 7.280 HA :: 4.091 HB :: 3.965 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 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 :: 118.836 Ave N Shift Values>> N :: 115.42(4.75) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.48 C Shift Assignments>> C :: 174.563 CA :: 59.361 CB :: 72.727 CG2 :: 21.761 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 :: 8.447 HA :: 4.484 HB :: 4.745 HG21 :: 1.295 HG22 :: 1.295 HG23 :: 1.295 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 :: 119.434 Ave N Shift Values>> N :: 115.42(4.75) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.1 L 0.06 D 0.06 K 0.01 N 0.01 C Shift Assignments>> C :: 178.347 CA :: 58.148 CB :: 39.954 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 :: 8.794 HA :: 3.920 HB2 :: 2.598 HB3 :: 2.741 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 :: 120.342 Ave N Shift Values>> N :: 120.65(3.86) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.36 E 0.21 K 0.02 C Shift Assignments>> C :: 178.987 CA :: 60.281 CB :: 29.193 CG :: 37.145 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 :: 8.444 HA :: 3.993 HB2 :: 2.079 HB3 :: 1.933 HG2 :: 2.260 HG3 :: 2.425 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.494 Ave N Shift Values>> N :: 120.67(3.48) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.21 V 0.2 C 0.07 P 0.07 F 0.03 Y 0.03 S 0.03 W 0.02 C Shift Assignments>> C :: 178.125 CA :: 61.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.384 HA :: 4.333 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 :: 120.532 Ave N Shift Values>> N :: 116.28(3.52) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.39 R 0.09 G 0.02 HN Overlap>> 1.M47 1.M47 C Shift Assignments>> C :: 178.341 CA :: 58.073 CB :: 42.524 CG :: 26.600 CD1 :: 26.057 CD2 :: 25.212 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 :: 8.487 HA :: 4.080 HB2 :: 1.141 HB3 :: 1.686 HG :: 1.496 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 126.754 Ave N Shift Values>> N :: 121.86(3.9) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.37 G 0.08 K 0.05 C Shift Assignments>> C :: 177.765 CA :: 59.706 CB :: 30.648 CG :: 28.015 CD :: 43.493 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 :: 7.980 HA :: 3.863 HB2 :: 2.221 HB3 :: 1.882 HG2 :: 1.464 HG3 :: 1.397 HD2 :: 3.402 HD3 :: 3.068 HE :: 7.690 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 :: 121.192 NE :: 84.367 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.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.416 CA :: 61.437 CB :: 62.933 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.295 HA :: 4.104 HB2 :: 3.913 HB3 :: 3.950 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.868 Ave N Shift Values>> N :: 116.28(3.52) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.35 H 0.24 C Shift Assignments>> C :: 177.510 CA :: 60.373 CB :: 30.776 CD2 :: 121.234 CE1 :: 138.680 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 :: 7.406 HA :: 4.346 HB2 :: 3.035 HB3 :: 3.125 HD2 :: 6.857 HE1 :: 8.294 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 :: 115.910 ND1 :: 227.882 NE2 :: 181.237 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 HN Overlap>> 1.H120 1.H120 C Shift Assignments>> C :: 179.061 CA :: 64.104 CB :: 38.379 CD1 :: 132.394 CD2 :: 132.394 CE1 :: 130.525 CE2 :: 130.525 CZ :: 128.233 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 :: 8.227 HA :: 4.526 HB2 :: 2.805 HB3 :: 3.631 HD1 :: 7.806 HD2 :: 7.806 HE1 :: 6.416 HE2 :: 6.416 HZ :: 6.420 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 :: 113.562 Ave N Shift Values>> N :: 120.45(4.18) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.19 K 0.05 Q 0.01 C Shift Assignments>> C :: 176.476 CA :: 57.950 CB :: 28.690 CG :: 37.058 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 :: 9.219 HA :: 4.962 HB2 :: 2.130 HB3 :: 2.226 HG2 :: 2.414 HG3 :: 2.537 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.490 Ave N Shift Values>> N :: 120.67(3.48) 1.Q37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 Q 0.2 K 0.15 E 0.15 I 0.06 R 0.04 C Shift Assignments>> C :: 176.486 CA :: 58.206 CB :: 27.731 CG :: 34.865 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 :: 7.011 HA :: 3.706 HB2 :: 0.492(S) HB3 :: 0.702(S) HG2 :: 2.043 HG3 :: 1.579 HE21 :: 7.024 HE22 :: 6.604 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 :: 116.596 NE2 :: 112.041 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 173.662 CA :: 61.557 CB :: 29.074 CD1 :: 126.111 CE3 :: 119.114 CZ2 :: 115.194 CZ3 :: 123.082 CH2 :: 124.270 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 :: 7.017 HA :: 4.481 HB2 :: 3.556 HB3 :: 3.024 HD1 :: 7.113 HE1 :: 10.050 HE3 :: 7.561 HZ2 :: 7.312 HZ3 :: 6.075 HH2 :: 6.808 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 :: 114.690 NE1 :: 130.770 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 171.596 CA :: 45.545 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.294 HA2 :: 3.937 HA3 :: 4.562 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.060 Ave N Shift Values>> N :: 109.67(3.87) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.760 CA :: 62.904 CB :: 69.813 CG2 :: 21.503 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 :: 8.770 HA :: 4.231 HB :: 4.175 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 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 :: 117.179 Ave N Shift Values>> N :: 115.42(4.75) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.31 R 0.19 K 0.01 A 0.01 G 0.01 C Shift Assignments>> C :: 178.358 CA :: 52.969 CB :: 41.893 CG :: 26.743 CD1 :: 28.059 CD2 :: 24.488 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 :: 8.831 HA :: 4.943 HB2 :: 1.102 HB3 :: 1.640 HG :: 1.504 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.095 HD22 :: 0.095 HD23 :: 0.095 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 :: 126.702 Ave N Shift Values>> N :: 121.86(3.9) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.1 C Shift Assignments>> C :: 175.050 CA :: 62.668 CB :: 67.618 CG2 :: 21.413 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 :: 8.926 HA :: 4.197 HB :: 4.187 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 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 :: 117.175 Ave N Shift Values>> N :: 115.42(4.75) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.29 R 0.18 D 0.07 C 0.05 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.637 CA :: 54.235 CB :: 44.253 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 :: 7.513 HA :: 4.620 HB2 :: 2.372 HB3 :: 2.580 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.764 Ave N Shift Values>> N :: 120.65(3.86) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 I 0.21 R 0.17 K 0.09 L 0.08 W 0.06 Q 0.05 H 0.03 E 0.02 P 0.01 C Shift Assignments>> C :: 171.885 CA :: 59.376 CB :: 26.377 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.436 HA :: 4.842 HB2 :: 2.644 HB3 :: 2.765 HG :: 1.943 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 :: 123.632 Ave N Shift Values>> N :: 120.17(4.64) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> C :: 173.371 CA :: 60.151 CB :: 36.424 CG1 :: 20.706 CG2 :: 21.296 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 :: 8.737 HA :: 4.576 HB :: 1.767 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 126.787 Ave N Shift Values>> N :: 121.14(4.54) 1.V46 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.V171 1.V171 C Shift Assignments>> C :: 176.674 CA :: 62.509 CB :: 33.175 CG1 :: 20.569 CG2 :: 22.557 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 :: 8.269 HA :: 3.711 HB :: 1.782 HG11 :: 0.660 HG12 :: 0.660 HG13 :: 0.660 HG21 :: 0.524 HG22 :: 0.524 HG23 :: 0.524 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.522 Ave N Shift Values>> N :: 121.14(4.54) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.34 A 0.26 HN Overlap>> 1.L31 1.A181 1.L31 1.A181 1.I19 1.I19 C Shift Assignments>> C :: 175.413 CA :: 54.852 CB :: 30.454 CG :: 33.196 CE :: 17.294 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 :: 8.445 HA :: 4.441 HB2 :: 1.412 HB3 :: 1.036 HG2 :: 2.527 HG3 :: 2.240 HE1 :: 2.165 HE2 :: 2.165 HE3 :: 2.165 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 :: 126.833 Ave N Shift Values>> N :: 120.09(3.57) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.35 R 0.22 G 0.03 C Shift Assignments>> CA :: 54.308 CB :: 34.048 CG :: 27.878 CD :: 42.653 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 :: 8.308 HA :: 4.838 HB2 :: 1.181 HB3 :: 1.383 HG2 :: 1.464 HG3 :: 1.174 HD2 :: 3.025 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.697 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.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 R 0.15 G 0.08 K 0.05 C 0.04 N 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.046 CA :: 52.106 CB :: 42.878 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 :: 8.577 HA :: 4.686 HB2 :: 2.515 HB3 :: 2.992 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.146 Ave N Shift Values>> N :: 120.65(3.86) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.166 CA :: 64.584 CB :: 32.136 CG :: 27.209 CD :: 50.977 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 :: 4.310 HB2 :: 2.302 HB3 :: 1.931 HG2 :: 2.056 HG3 :: 1.984 HD2 :: 3.923 HD3 :: 3.814 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.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.18 Y 0.18 N 0.17 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 176.642 CA :: 55.444 CB :: 39.455 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 :: 8.560 HA :: 4.723 HB2 :: 2.808 HB3 :: 2.942 HD21 :: 7.026 HD22 :: 7.887 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 :: 115.474 ND2 :: 114.734 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 176.018 CA :: 62.063 CB :: 70.768 CG2 :: 19.036 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 :: 8.277 HA :: 4.264 HB :: 4.309 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.788 Ave N Shift Values>> N :: 115.42(4.75) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.29 K 0.22 G 0.01 L 0.01 C Shift Assignments>> C :: 175.376 CA :: 57.902 CB :: 29.293 CG :: 25.196 CD :: 28.698 CE :: 42.525 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.091 HA :: 3.917 HB2 :: 2.189 HB3 :: 2.037 HG2 :: 1.336 HG3 :: 1.244 HD2 :: 1.591 HD3 :: 1.531 HE2 :: 2.968 HE3 :: 2.968 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 :: 114.615 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.12 G 0.05 C Shift Assignments>> C :: 176.619 CA :: 56.233 CB :: 31.045 CG :: 27.626 CD :: 43.222 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 :: 7.847 HA :: 4.169 HB2 :: 1.603 HB3 :: 1.774 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 3.097 HD3 :: 3.097 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.395 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.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.755 CA :: 58.559 CB :: 63.922 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.810 HA :: 4.186 HB2 :: 3.807 HB3 :: 4.006 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 :: 116.987 Ave N Shift Values>> N :: 116.28(3.52) 1.R56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.38 G 0.11 K 0.04 C Shift Assignments>> C :: 177.962 CA :: 56.096 CB :: 31.294 CG :: 27.623 CD :: 43.787 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 :: 8.976 HA :: 4.403 HB2 :: 0.897(S) HB3 :: 2.206 HG2 :: 1.448 HG3 :: 1.632 HD2 :: 3.071 HD3 :: 2.896 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.427 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.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.856 CA :: 45.669 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.375 HA2 :: 4.100 HA3 :: 3.105 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.308 Ave N Shift Values>> N :: 109.67(3.87) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.25 G 0.01 C Shift Assignments>> C :: 172.646 CA :: 54.918 CB :: 41.743 CD1 :: 132.952 CD2 :: 132.952 CE1 :: 131.275 CE2 :: 131.275 CZ :: 129.514 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 :: 7.044 HA :: 5.201 HB2 :: 3.163 HB3 :: 2.713 HD1 :: 6.805 HD2 :: 6.805 HE1 :: 7.342 HE2 :: 7.342 HZ :: 7.276 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 :: 112.537 Ave N Shift Values>> N :: 120.45(4.18) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 169.931 CA :: 45.304 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.345 HA2 :: 3.917 HA3 :: 4.152 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.816 Ave N Shift Values>> N :: 109.67(3.87) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 G 0.31 C 0.14 C Shift Assignments>> C :: 174.929 CA :: 56.541 CB :: 43.984 CD1 :: 132.146 CD2 :: 132.146 CE1 :: 131.503 CE2 :: 131.503 CZ :: 130.064 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 :: 8.903 HA :: 5.645 HB2 :: 2.568 HB3 :: 2.849 HD1 :: 7.037 HD2 :: 7.037 HE1 :: 7.468 HE2 :: 7.468 HZ :: 7.473 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.179 Ave N Shift Values>> N :: 120.45(4.18) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 173.246 CA :: 59.421 CB :: 34.678 CG1 :: 22.129 CG2 :: 20.017 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 :: 8.569 HA :: 4.540 HB :: 1.685 HG11 :: 0.497 HG12 :: 0.497 HG13 :: 0.497 HG21 :: 0.279 HG22 :: 0.279 HG23 :: 0.279 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.310 Ave N Shift Values>> N :: 121.14(4.54) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 HN Overlap>> 1.M187 1.M187 C Shift Assignments>> C :: 173.985 CA :: 61.033 CB :: 70.114 CG2 :: 22.543 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 :: 8.180 HA :: 5.068 HB :: 3.741 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 120.158 Ave N Shift Values>> N :: 115.42(4.75) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.23 G 0.01 C Shift Assignments>> C :: 176.696 CA :: 58.297 CB :: 42.217 CD1 :: 133.128 CD2 :: 133.128 CE1 :: 117.890 CE2 :: 117.890 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 :: 8.407 HA :: 5.357 HB2 :: 2.772 HB3 :: 3.732 HD1 :: 6.913 HD2 :: 6.913 HE1 :: 6.439 HE2 :: 6.439 HH :: 9.283 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 :: 125.280 Ave N Shift Values>> N :: 120.52(4.2) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.38 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 178.252 CA :: 55.269 CB :: 19.068 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.749 HA :: 4.052 HB1 :: 1.658 HB2 :: 1.658 HB3 :: 1.658 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.648 Ave N Shift Values>> N :: 123.23(3.54) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 T 0.36 A 0.01 C Shift Assignments>> C :: 174.667 CA :: 59.184 CB :: 73.193 CG2 :: 21.729 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 :: 7.992 HA :: 4.902 HB :: 4.695 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.238 Ave N Shift Values>> N :: 115.42(4.75) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.K180 1.K180 C Shift Assignments>> C :: 177.446 CA :: 65.535 CB :: 31.538 CG1 :: 22.693 CG2 :: 21.736 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 :: 8.968 HA :: 3.670 HB :: 2.019 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 120.939 Ave N Shift Values>> N :: 121.14(4.54) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.37 E 0.18 K 0.01 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 180.056 CA :: 60.430 CB :: 28.909 CG :: 37.181 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 :: 8.686 HA :: 4.045 HB2 :: 1.947 HB3 :: 2.076 HG2 :: 2.419 HG3 :: 2.304 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 :: 120.818 Ave N Shift Values>> N :: 120.67(3.48) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.32 E 0.17 C Shift Assignments>> C :: 177.040 CA :: 59.391 CB :: 29.590 CG :: 38.028 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 :: 7.487 HA :: 3.853 HB2 :: 1.747 HB3 :: 2.254 HG2 :: 2.275 HG3 :: 2.655 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.729 Ave N Shift Values>> N :: 120.67(3.48) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 178.293 CA :: 66.391 CB :: 31.092 CG1 :: 22.082 CG2 :: 24.378 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 :: 6.882 HA :: 3.165 HB :: 2.407 HG11 :: 0.972 HG12 :: 0.972 HG13 :: 0.972 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 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 :: 118.408 Ave N Shift Values>> N :: 121.14(4.54) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.1 L 0.09 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.N74 1.N74 C Shift Assignments>> C :: 178.765 CA :: 57.394 CB :: 39.879 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 :: 8.109 HA :: 4.128 HB2 :: 2.500 HB3 :: 2.738 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.356 Ave N Shift Values>> N :: 120.65(3.86) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.518 CA :: 55.209 CB :: 18.104 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.736 HA :: 4.070 HB1 :: 1.705 HB2 :: 1.705 HB3 :: 1.705 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.031 Ave N Shift Values>> N :: 123.23(3.54) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 182.248 CA :: 55.251 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 :: 8.101 HA :: 3.034 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.446 Ave N Shift Values>> N :: 123.23(3.54) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.41 A 0.04 C Shift Assignments>> C :: 179.409 CA :: 56.379 CB :: 30.498 CG :: 33.111 CE :: 15.985 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 :: 8.681 HA :: 4.430 HB2 :: 1.988 HB3 :: 2.201 HG2 :: 2.446 HG3 :: 2.551 HE1 :: 2.018 HE2 :: 2.018 HE3 :: 2.018 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 :: 118.027 Ave N Shift Values>> N :: 120.09(3.57) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.14 C 0.12 Y 0.12 F 0.11 L 0.04 E 0.02 M 0.01 I 0.01 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 175.014 CA :: 54.323 CB :: 38.468 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 :: 8.096 HA :: 4.627 HB2 :: 2.772 HB3 :: 2.854 HD21 :: 7.507 HD22 :: 6.849 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 :: 119.415 ND2 :: 112.634 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 175.305 CA :: 51.273 CB :: 18.922 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.966 HA :: 4.299 HB1 :: 0.870 HB2 :: 0.870 HB3 :: 0.870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.253 Ave N Shift Values>> N :: 123.23(3.54) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.33 G 0.12 K 0.02 C Shift Assignments>> CA :: 55.086 CB :: 30.199 CG :: 27.511 CD :: 43.695 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 :: 6.749 HA :: 3.608 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 1.815 HG3 :: 1.914 HD2 :: 3.344 HD3 :: 3.344 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.833 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.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 P 0.01 C Shift Assignments>> C :: 175.590 CA :: 61.614 CB :: 34.982 CG :: 24.471 CD :: 50.532 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 :: 4.434 HB2 :: 2.375 HB3 :: 1.857 HG2 :: 1.899 HG3 :: 1.899 HD2 :: 3.439 HD3 :: 3.564 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.H78 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.51 H 0.25 W 0.22 HN Overlap>> 1.E119 1.E119 C Shift Assignments>> C :: 173.137 CA :: 56.231 CB :: 32.909 CD2 :: 115.835 CE1 :: 139.234 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.384 HA :: 4.559 HB2 :: 2.367 HB3 :: 2.874 HD2 :: 6.734 HE1 :: 5.686(S) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.039 ND1 :: 242.838(A) NE2 :: 163.988 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.34 R 0.09 C Shift Assignments>> C :: 174.858 CA :: 54.755 CB :: 33.475 CG :: 25.229 CD :: 29.441 CE :: 41.736 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 :: 8.485 HA :: 4.939 HB2 :: 1.603 HB3 :: 1.432 HG2 :: 0.945 HG3 :: 1.024 HD2 :: 1.536 HD3 :: 1.536 HE2 :: 2.775 HE3 :: 2.775 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.607 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.295 CA :: 60.737 CB :: 33.249 CG1 :: 21.248 CG2 :: 20.566 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 :: 8.581 HA :: 3.955 HB :: 1.706 HG11 :: 0.678 HG12 :: 0.678 HG13 :: 0.678 HG21 :: 0.096 HG22 :: 0.096 HG23 :: 0.096 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.596 Ave N Shift Values>> N :: 121.14(4.54) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 D 0.19 N 0.11 L 0.11 C 0.11 I 0.02 C Shift Assignments>> C :: 175.744 CA :: 55.882 CB :: 39.692 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 :: 9.553 HA :: 4.228 HB2 :: 2.442 HB3 :: 2.760 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 :: 128.668 Ave N Shift Values>> N :: 120.65(3.86) 1.G82 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 :: 173.560 CA :: 45.445 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.488 HA2 :: 4.155 HA3 :: 3.443 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.527 Ave N Shift Values>> N :: 109.67(3.87) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.31 K 0.27 G 0.04 HN Overlap>> 1.Q166 1.Q166 C Shift Assignments>> C :: 174.512 CA :: 53.161 CB :: 32.507 CG :: 26.216 CD :: 42.640 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 :: 7.555 HA :: 4.640 HB2 :: 1.591 HB3 :: 1.790 HG2 :: 1.517 HG3 :: 1.574 HD2 :: 3.153 HD3 :: 3.153 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.493 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.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.701 CA :: 63.290 CB :: 30.867 CG1 :: 21.623 CG2 :: 21.998 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 :: 8.633 HA :: 4.501 HB :: 1.954 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.855 Ave N Shift Values>> N :: 121.14(4.54) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.22 C Shift Assignments>> C :: 174.969 CA :: 59.499 CB :: 32.761 CG1 :: 18.982 CG2 :: 22.501 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 :: 8.391 HA :: 4.667 HB :: 2.214 HG11 :: 0.696 HG12 :: 0.696 HG13 :: 0.696 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.944 Ave N Shift Values>> N :: 121.14(4.54) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.35 E 0.21 Q 0.06 K 0.01 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> CA :: 52.949 CB :: 31.367 CG :: 35.853 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 :: 8.681 HA :: 5.087 HB2 :: 1.973 HB3 :: 1.768 HG2 :: 2.099 HG3 :: 2.099 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 :: 120.907 Ave N Shift Values>> N :: 120.67(3.48) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.49 C Shift Assignments>> C :: 175.908 CA :: 61.444 CB :: 32.657 CG :: 27.614 CD :: 50.955 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 :: 5.383 HB2 :: 1.843 HB3 :: 2.029 HG2 :: 1.707 HG3 :: 2.139 HD2 :: 3.970 HD3 :: 3.970 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.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 R 0.12 G 0.01 C Shift Assignments>> C :: 175.676 CA :: 55.101 CB :: 36.608 CG :: 24.618 CD :: 29.312 CE :: 42.131 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 :: 9.397 HA :: 4.688 HB2 :: 1.873 HB3 :: 1.751 HG2 :: 1.462 HG3 :: 1.462 HD2 :: 1.579 HD3 :: 1.611 HE2 :: 2.840 HE3 :: 2.840 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 :: 121.252 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.14 G 0.06 C Shift Assignments>> C :: 177.011 CA :: 57.209 CB :: 30.452 CG :: 28.882 CD :: 43.334 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 :: 8.940 HA :: 4.375 HB2 :: 1.656 HB3 :: 2.002 HG2 :: 1.551 HG3 :: 1.659 HD2 :: 3.275 HD3 :: 3.275 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.272 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.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 177.452 CA :: 53.712 CB :: 18.824 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.424 HA :: 4.259 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.260 Ave N Shift Values>> N :: 123.23(3.54) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.397 CA :: 61.516 CB :: 33.448 CG1 :: 21.153 CG2 :: 20.472 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 :: 7.892 HA :: 4.182 HB :: 1.996 HG11 :: 0.853 HG12 :: 0.853 HG13 :: 0.853 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.835 Ave N Shift Values>> N :: 121.14(4.54) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.888 CB :: 63.788 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.327 HA :: 4.420 HB2 :: 3.825 HB3 :: 3.873 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 :: 119.224 Ave N Shift Values>> N :: 116.28(3.52) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.47 C 0.4 G 0.05 K 0.05 C Shift Assignments>> C :: 176.651 CA :: 56.671 CB :: 30.776 CG :: 27.095 CD :: 43.301 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 :: 8.425 HA :: 4.231 HB2 :: 1.701 HB3 :: 1.802 HG2 :: 1.522 HG3 :: 1.554 HD2 :: 2.937 HD3 :: 3.080 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.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 K 0.06 M 0.06 I 0.05 Q 0.04 HN Overlap>> 1.H157 1.H157 C Shift Assignments>> C :: 176.605 CA :: 57.185 CB :: 30.015 CG :: 36.437 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 :: 8.503 HA :: 4.181 HB2 :: 1.868 HB3 :: 1.979 HG2 :: 2.194 HG3 :: 2.194 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 :: 121.483 Ave N Shift Values>> N :: 120.67(3.48) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 176.744 CA :: 54.678 CB :: 41.183 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 :: 8.229 HA :: 4.540 HB2 :: 2.604 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 :: 121.305 Ave N Shift Values>> N :: 120.65(3.86) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.602 CA :: 58.957 CB :: 64.524 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.109 HA :: 4.286 HB2 :: 4.308 HB3 :: 4.308 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.787 Ave N Shift Values>> N :: 116.28(3.52) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.07 M 0.05 R 0.03 C Shift Assignments>> C :: 175.742 CA :: 55.721 CB :: 29.313 CG :: 33.874 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 :: 8.161 HA :: 4.297 HB2 :: 1.937 HB3 :: 2.101 HG2 :: 2.310 HG3 :: 2.310 HE21 :: 6.784 HE22 :: 7.471 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 :: 120.796 NE2 :: 112.377 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 C 0.28 G 0.1 K 0.03 L 0.01 C Shift Assignments>> CA :: 54.096 CB :: 30.115 CG :: 26.914 CD :: 43.407 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 :: 8.029 HA :: 4.552 HB2 :: 1.688 HB3 :: 1.784 HG2 :: 1.607 HG3 :: 1.607 HD2 :: 3.153 HD3 :: 3.153 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 :: 122.462 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.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.715 CA :: 63.592 CB :: 31.955 CG :: 27.490 CD :: 50.577 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 :: 4.362 HB2 :: 2.237 HB3 :: 1.856 HG2 :: 1.952 HG3 :: 2.002 HD2 :: 3.574 HD3 :: 3.750 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.G100 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 :: 174.356 CA :: 45.395 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.516 HA2 :: 3.833 HA3 :: 3.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.572 Ave N Shift Values>> N :: 109.67(3.87) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 C Shift Assignments>> CA :: 53.160 CB :: 19.185 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.015 HA :: 4.141 HB1 :: 1.301 HB2 :: 1.301 HB3 :: 1.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.418 Ave N Shift Values>> N :: 123.23(3.54) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.28 C Shift Assignments>> C :: 175.102 CA :: 56.309 CB :: 30.450 CD2 :: 119.401 CE1 :: 138.486 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 :: 4.502 HB2 :: 3.014 HB3 :: 3.014 HD2 :: 6.913 HE1 :: 7.780 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>> ND1 :: 226.446 NE2 :: 177.745 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.25 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.020 CA :: 54.934 CB :: 42.414 CG :: 26.776 CD1 :: 25.139 CD2 :: 23.463 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 :: 7.774 HA :: 4.263 HB2 :: 1.427 HB3 :: 1.523 HG :: 1.233 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.495 Ave N Shift Values>> N :: 121.86(3.9) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.185 CA :: 60.917 CB :: 69.340 CG2 :: 21.393 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 :: 8.001 HA :: 4.220 HB :: 3.873 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 115.720 Ave N Shift Values>> N :: 115.42(4.75) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.294 CA :: 61.877 CB :: 34.220 CG1 :: 22.358 CG2 :: 21.012 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 :: 8.191 HA :: 4.330 HB :: 2.149 HG11 :: 1.088 HG12 :: 1.088 HG13 :: 1.088 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.004 Ave N Shift Values>> N :: 121.14(4.54) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.35 R 0.23 C Shift Assignments>> C :: 173.482 CA :: 56.433 CB :: 33.245 CG :: 25.770 CD :: 29.500 CE :: 42.204 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 :: 8.672 HA :: 4.498 HB2 :: 1.599 HB3 :: 1.599 HG2 :: 1.433 HG3 :: 1.049 HD2 :: 1.632 HD3 :: 1.662 HE2 :: 2.978 HE3 :: 2.978 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 :: 121.406 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.18 R 0.06 C Shift Assignments>> C :: 175.153 CA :: 54.537 CB :: 37.407 CG :: 24.694 CD :: 29.679 CE :: 41.353 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 :: 7.134 HA :: 5.623 HB2 :: 1.603 HB3 :: 1.825 HG2 :: 1.228 HG3 :: 1.486 HD2 :: 1.351 HD3 :: 1.351 HE2 :: 2.492 HE3 :: 2.492 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 :: 121.756 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 A 0.01 C Shift Assignments>> C :: 174.525 CA :: 59.009 CB :: 40.552 CG1 :: 25.953 CG2 :: 19.296 CD1 :: 13.834 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 :: 8.948 HA :: 5.110 HB :: 1.801 HG12 :: 1.156 HG13 :: 1.278 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 HD11 :: 0.114 HD12 :: 0.114 HD13 :: 0.114 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 :: 115.982 Ave N Shift Values>> N :: 121.46(4.28) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.21 C Shift Assignments>> C :: 173.422 CA :: 56.567 CB :: 41.596 CD1 :: 131.466 CD2 :: 131.466 CE1 :: 131.279 CE2 :: 131.279 CZ :: 129.427 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 :: 9.103 HA :: 4.696 HB2 :: 2.709 HB3 :: 2.951 HD1 :: 6.758 HD2 :: 6.758 HE1 :: 6.649 HE2 :: 6.649 HZ :: 6.867 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 :: 124.182 Ave N Shift Values>> N :: 120.45(4.18) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.097 CA :: 60.493 CB :: 33.266 CG1 :: 21.027 CG2 :: 21.242 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 :: 8.338 HA :: 4.497 HB :: 1.677 HG11 :: 0.576 HG12 :: 0.576 HG13 :: 0.576 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 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 :: 126.956 Ave N Shift Values>> N :: 121.14(4.54) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 G 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.325 CA :: 44.011 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.173 HA2 :: 3.744 HA3 :: 4.435 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.617 Ave N Shift Values>> N :: 109.67(3.87) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.359 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.221 HA2 :: 3.833 HA3 :: 4.333 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.411 Ave N Shift Values>> N :: 109.67(3.87) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CG2 :: 18.550 CD1 :: 13.991 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>> HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 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.K114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.49 T 0.43 C 0.06 C Shift Assignments>> C :: 173.380 CA :: 63.000 CG2 :: 22.513 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.322 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.E118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 M 0.4 E 0.12 Q 0.03 C Shift Assignments>> C :: 177.632 CA :: 53.853 CB :: 32.977 CG :: 35.668 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 :: 11.190(S) HA :: 4.632 HB2 :: 1.300(S) HB3 :: 2.238 HG2 :: 2.241 HG3 :: 2.375 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.298 Ave N Shift Values>> N :: 120.67(3.48) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.36 E 0.12 K 0.01 HN Overlap>> 1.H78 1.H78 C Shift Assignments>> C :: 179.294 CA :: 61.689 CB :: 29.075 CG :: 36.809 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 :: 9.339 HA :: 3.627 HB2 :: 2.072 HB3 :: 2.135 HG2 :: 2.192 HG3 :: 2.192 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.126 Ave N Shift Values>> N :: 120.67(3.48) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.32 H 0.3 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 176.566 CA :: 58.917 CB :: 28.187 CD2 :: 119.849 CE1 :: 137.914 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 :: 8.240 HA :: 4.265 HB2 :: 3.008 HB3 :: 3.173 HD2 :: 6.883 HE1 :: 7.549 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 :: 113.514 ND1 :: 221.691 NE2 :: 175.591 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H121 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.6 H 0.23 W 0.15 C Shift Assignments>> C :: 179.713 CA :: 60.310 CB :: 32.233 CD2 :: 117.079 CE1 :: 138.162 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 :: 6.474 HA :: 4.332 HB2 :: 2.833 HB3 :: 3.225 HD2 :: 7.058 HE1 :: 7.667 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 :: 118.629 ND1 :: 254.201(A) NE2 :: 167.702 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 L 0.25 G 0.02 K 0.01 C Shift Assignments>> C :: 178.020 CA :: 57.924 CB :: 42.577 CG :: 27.766 CD1 :: 24.715 CD2 :: 26.859 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 :: 7.132 HA :: 4.179 HB2 :: 1.400 HB3 :: 2.141 HG :: 1.609 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.630 HD22 :: 0.630 HD23 :: 0.630 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 :: 117.249 Ave N Shift Values>> N :: 121.86(3.9) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.31 K 0.11 G 0.04 C Shift Assignments>> C :: 177.023 CA :: 60.508 CB :: 30.256 CG :: 28.315 CD :: 42.904 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 :: 8.759 HA :: 3.741 HB2 :: 1.843 HB3 :: 1.754 HG2 :: 1.492 HG3 :: 1.557 HD2 :: 3.320 HD3 :: 3.143 HE :: 7.704 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.766 NE :: 83.977 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.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.13 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 178.057 CA :: 57.076 CB :: 40.572 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 :: 8.423 HA :: 4.294 HB2 :: 2.691 HB3 :: 2.806 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 :: 116.299 Ave N Shift Values>> N :: 120.65(3.86) 1.Y125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.72 C 0.27 HN Overlap>> 1.V134 1.V134 C Shift Assignments>> C :: 177.688 CA :: 61.660 CB :: 39.847 CD1 :: 132.513 CD2 :: 132.513 CE1 :: 118.725 CE2 :: 118.725 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 :: 7.212 HA :: 4.338 HB2 :: 3.157 HB3 :: 2.482 HD1 :: 5.886(S) HD2 :: 5.886(S) HE1 :: 6.584 HE2 :: 6.584 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 :: 115.172 Ave N Shift Values>> N :: 120.52(4.2) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 178.209 CA :: 63.404 CB :: 38.614 CD1 :: 132.013 CD2 :: 132.013 CE1 :: 130.324 CE2 :: 130.324 CZ :: 129.523 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 :: 8.802 HA :: 4.515 HB2 :: 3.166 HB3 :: 3.569 HD1 :: 7.584 HD2 :: 7.584 HE1 :: 6.881 HE2 :: 6.881 HZ :: 6.751 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 :: 113.932 Ave N Shift Values>> N :: 120.45(4.18) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.28 E 0.27 K 0.03 C Shift Assignments>> C :: 177.936 CA :: 58.560 CB :: 28.516 CG :: 37.293 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 :: 8.869 HA :: 4.884 HB2 :: 2.128 HB3 :: 2.263 HG2 :: 2.475 HG3 :: 2.532 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 :: 120.515 Ave N Shift Values>> N :: 120.67(3.48) 1.Q128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.27 E 0.06 R 0.04 M 0.04 C Shift Assignments>> C :: 176.656 CA :: 57.566 CB :: 29.047 CG :: 33.698 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 :: 7.105 HA :: 4.055 HB2 :: 1.732 HB3 :: 1.683 HG2 :: 1.374(S) HG3 :: 2.004 HE21 :: 7.069 HE22 :: 6.367 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 :: 115.855 NE2 :: 111.768 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 175.596 CA :: 59.492 CB :: 39.539 CD1 :: 133.451 CD2 :: 133.451 CE1 :: 118.130 CE2 :: 118.130 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 :: 7.950 HA :: 4.328 HB2 :: 2.952 HB3 :: 2.909 HD1 :: 7.147 HD2 :: 7.147 HE1 :: 6.544 HE2 :: 6.544 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 :: 116.626 Ave N Shift Values>> N :: 120.52(4.2) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.407 CA :: 44.819 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.492 HA2 :: 4.437 HA3 :: 3.873 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.386 Ave N Shift Values>> N :: 109.67(3.87) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.12 C Shift Assignments>> C :: 177.097 CA :: 56.938 CB :: 33.199 CG :: 25.022 CD :: 29.156 CE :: 42.242 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 :: 8.135 HA :: 4.315 HB2 :: 1.773 HB3 :: 1.773 HG2 :: 1.461 HG3 :: 1.319 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.972 HE3 :: 2.972 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.786 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.841 CA :: 61.625 CB :: 40.441 CG1 :: 28.591 CG2 :: 17.389 CD1 :: 15.559 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 :: 8.917 HA :: 3.681 HB :: 1.578 HG12 :: 1.793 HG13 :: 0.159 HG21 :: 0.452 HG22 :: 0.452 HG23 :: 0.452 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.829 Ave N Shift Values>> N :: 121.46(4.28) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 M 0.2 Q 0.04 C Shift Assignments>> C :: 176.192 CA :: 57.816 CB :: 31.670 CG :: 35.892 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 :: 9.136 HA :: 4.320 HB2 :: 1.671 HB3 :: 1.671 HG2 :: 2.145 HG3 :: 1.949 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 :: 128.437 Ave N Shift Values>> N :: 120.67(3.48) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 HN Overlap>> 1.Y125 1.Y125 C Shift Assignments>> C :: 172.860 CA :: 61.258 CB :: 35.526 CG1 :: 21.275 CG2 :: 20.490 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 :: 7.272 HA :: 4.316 HB :: 2.017 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.096 Ave N Shift Values>> N :: 121.14(4.54) 1.I135 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.I19 1.I19 C Shift Assignments>> C :: 174.004 CA :: 60.904 CB :: 40.408 CG1 :: 28.977 CG2 :: 18.142 CD1 :: 14.178 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 :: 8.566 HA :: 4.464 HB :: 1.643 HG12 :: 1.579 HG13 :: 0.857 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.870 Ave N Shift Values>> N :: 121.46(4.28) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.27 E 0.15 C Shift Assignments>> C :: 174.883 CA :: 54.640 CB :: 33.259 CG :: 36.511 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 :: 9.019 HA :: 4.642 HB2 :: 1.885 HB3 :: 2.115 HG2 :: 2.046 HG3 :: 2.086 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 :: 128.037 Ave N Shift Values>> N :: 120.67(3.48) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.157 CA :: 61.336 CB :: 37.397 CG1 :: 28.132 CG2 :: 17.630 CD1 :: 12.415 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 :: 8.967 HA :: 3.898 HB :: 1.835 HG12 :: 0.760 HG13 :: 1.457 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.668 Ave N Shift Values>> N :: 121.46(4.28) 1.M138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.33 A 0.19 C Shift Assignments>> C :: 176.723 CA :: 55.163 CB :: 30.841 CG :: 32.460 CE :: 17.257 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 :: 7.656 HA :: 4.679 HB2 :: 1.038 HB3 :: 1.379 HG2 :: 2.131 HG3 :: 2.274 HE1 :: 2.104 HE2 :: 2.104 HE3 :: 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 :: 126.115 Ave N Shift Values>> N :: 120.09(3.57) 1.T139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 173.642 CA :: 60.385 CB :: 72.028 CG2 :: 21.585 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 :: 8.551 HA :: 4.746 HB :: 3.786 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 116.735 Ave N Shift Values>> N :: 115.42(4.75) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.26 K 0.13 R 0.1 F 0.05 N 0.04 C 0.04 Y 0.03 C Shift Assignments>> CA :: 53.728 CB :: 42.270 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 :: 8.818 HA :: 4.677 HB2 :: 2.462 HB3 :: 2.872 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 :: 123.899 Ave N Shift Values>> N :: 120.65(3.86) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.84 G 0.09 K 0.04 L 0.01 C Shift Assignments>> C :: 177.886 CB :: 29.886 CG :: 27.233 CD :: 43.184 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 :: 4.037 HB2 :: 1.838 HB3 :: 1.838 HG2 :: 1.686 HG3 :: 1.686 HD2 :: 3.185 HD3 :: 3.185 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.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.861 CA :: 46.490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.635 HA2 :: 3.908 HA3 :: 3.908 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.951 Ave N Shift Values>> N :: 109.67(3.87) 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.080 CA :: 58.429 CB :: 65.439 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.034 HA :: 4.533 HB2 :: 3.814 HB3 :: 3.953 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 :: 114.044 Ave N Shift Values>> N :: 116.28(3.52) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.949 CA :: 45.703 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.363 HA2 :: 4.148 HA3 :: 3.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.348 Ave N Shift Values>> N :: 109.67(3.87) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.38 R 0.13 G 0.01 C Shift Assignments>> C :: 176.969 CA :: 56.145 CB :: 33.378 CG :: 24.864 CD :: 28.944 CE :: 42.383 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 :: 7.786 HA :: 4.273 HB2 :: 1.659 HB3 :: 1.764 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.972 HE3 :: 2.972 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 :: 119.966 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.27 G 0.01 C Shift Assignments>> C :: 177.498 CA :: 57.392 CB :: 32.577 CG :: 25.979 CD :: 29.230 CE :: 42.590 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 :: 8.968 HA :: 4.187 HB2 :: 1.681 HB3 :: 1.681 HG2 :: 1.377 HG3 :: 1.638 HD2 :: 1.639 HD3 :: 1.639 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 :: 123.668 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.07 K 0.04 C Shift Assignments>> CA :: 56.365 CB :: 30.786 CG :: 27.025 CD :: 43.420 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 :: 8.095 HA :: 4.294 HB2 :: 1.753 HB3 :: 1.844 HG2 :: 1.604 HG3 :: 1.604 HD2 :: 3.148 HD3 :: 3.148 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 :: 119.700 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.G148 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 :: 173.384 CA :: 45.440 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.401 HA2 :: 3.921 HA3 :: 4.187 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.572 Ave N Shift Values>> N :: 109.67(3.87) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.27 G 0.01 C Shift Assignments>> C :: 172.409 CA :: 55.282 CB :: 41.869 CD1 :: 132.998 CD2 :: 132.998 CE1 :: 131.387 CE2 :: 131.387 CZ :: 129.640 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 :: 7.255 HA :: 5.194 HB2 :: 2.424 HB3 :: 3.100 HD1 :: 6.690 HD2 :: 6.690 HE1 :: 7.282 HE2 :: 7.282 HZ :: 7.301 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.199 Ave N Shift Values>> N :: 120.45(4.18) 1.A150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 L 0.11 C 0.09 K 0.02 R 0.01 C Shift Assignments>> C :: 174.084 CA :: 49.755 CB :: 25.094(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.786 HA :: 4.966 HB1 :: 1.014 HB2 :: 1.014 HB3 :: 1.014 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.427 Ave N Shift Values>> N :: 123.23(3.54) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.17 G 0.13 C Shift Assignments>> C :: 176.196 CA :: 56.070 CB :: 43.251 CD1 :: 132.307 CD2 :: 132.307 CE1 :: 131.572 CE2 :: 131.572 CZ :: 129.819 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 :: 8.689 HA :: 5.874 HB2 :: 2.902 HB3 :: 2.797 HD1 :: 7.261 HD2 :: 7.261 HE1 :: 7.571 HE2 :: 7.571 HZ :: 7.516 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.425 Ave N Shift Values>> N :: 120.45(4.18) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 173.932 CA :: 61.454 CB :: 33.869 CG1 :: 22.346 CG2 :: 20.507 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 :: 8.559 HA :: 4.375 HB :: 1.408 HG11 :: 0.069 HG12 :: 0.069 HG13 :: 0.069 HG21 :: 0.489 HG22 :: 0.489 HG23 :: 0.489 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.489 Ave N Shift Values>> N :: 121.14(4.54) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 174.047 CA :: 61.931 CB :: 69.689 CG2 :: 21.410 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 :: 8.723 HA :: 4.995 HB :: 3.885 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 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 :: 123.112 Ave N Shift Values>> N :: 115.42(4.75) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 174.720 CA :: 58.098 CB :: 41.706 CD1 :: 132.205 CD2 :: 132.205 CE1 :: 130.581 CE2 :: 130.581 CZ :: 129.776 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 :: 9.368 HA :: 4.840 HB2 :: 3.590 HB3 :: 2.744 HD1 :: 6.993 HD2 :: 6.993 HE1 :: 6.885 HE2 :: 6.885 HZ :: 6.798 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 :: 127.746 Ave N Shift Values>> N :: 120.45(4.18) 1.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.2 K 0.17 D 0.12 F 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 175.668 CA :: 56.114 CB :: 42.576 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 :: 8.196 HA :: 4.486 HB2 :: 2.537 HB3 :: 2.646 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.371 Ave N Shift Values>> N :: 120.65(3.86) 1.D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.07 D 0.05 C 0.03 F 0.01 C Shift Assignments>> C :: 176.392 CA :: 52.615 CB :: 44.471 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 :: 8.323 HA :: 4.909 HB2 :: 2.622 HB3 :: 2.821 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 :: 117.144 Ave N Shift Values>> N :: 120.65(3.86) 1.H157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.32 H 0.31 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> C :: 176.855 CA :: 58.593 CB :: 29.703 CD2 :: 121.650 CE1 :: 138.736 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 :: 8.492 HA :: 4.336 HB2 :: 2.784 HB3 :: 3.315 HD2 :: 7.131 HE1 :: 7.914 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 :: 121.508 ND1 :: 215.819 NE2 :: 187.308 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 D 0.13 K 0.12 C 0.09 I 0.03 N 0.02 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 178.233 CA :: 57.047 CB :: 40.875 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 :: 8.345 HA :: 4.254 HB2 :: 2.378 HB3 :: 2.455 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 :: 122.539 Ave N Shift Values>> N :: 120.65(3.86) 1.S159 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.750 CA :: 61.914 CB :: 63.088 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.424 HA :: 3.899 HB2 :: 2.833(S) HB3 :: 3.193 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.623 Ave N Shift Values>> N :: 116.28(3.52) 1.V160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 177.269 CA :: 66.512 CB :: 31.395 CG1 :: 22.127 CG2 :: 24.167 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 :: 6.484 HA :: 2.913 HB :: 2.295 HG11 :: 0.700 HG12 :: 0.700 HG13 :: 0.700 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 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 :: 118.448 Ave N Shift Values>> N :: 121.14(4.54) 1.D161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 D 0.08 I 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 178.284 CA :: 57.798 CB :: 40.288 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 :: 7.663 HA :: 4.275 HB2 :: 2.594 HB3 :: 2.696 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 :: 119.064 Ave N Shift Values>> N :: 120.65(3.86) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.38 R 0.18 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 178.205 CA :: 58.796 CB :: 33.298 CG :: 25.700 CD :: 29.520 CE :: 42.256 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 :: 7.465 HA :: 4.030 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 1.652 HG3 :: 1.486 HD2 :: 1.720 HD3 :: 1.793 HE2 :: 2.974 HE3 :: 2.974 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 :: 116.568 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 I 0.49 V 0.01 C Shift Assignments>> C :: 179.129 CA :: 65.201 CB :: 39.170 CG1 :: 28.928 CG2 :: 18.497 CD1 :: 17.655 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.367 HA :: 3.241 HB :: 1.526 HG12 :: -0.598(S) HG13 :: 1.111 HG21 :: 0.446 HG22 :: 0.446 HG23 :: 0.446 HD11 :: 0.238 HD12 :: 0.238 HD13 :: 0.238 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 :: 119.457 Ave N Shift Values>> N :: 121.46(4.28) 1.V164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.685 CA :: 64.137 CB :: 30.720 CG1 :: 21.178 CG2 :: 19.187 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 :: 7.814 HA :: 4.093 HB :: 2.515 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 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 :: 109.705 Ave N Shift Values>> N :: 121.14(4.54) 1.I165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 176.006 CA :: 63.328 CB :: 38.136 CG1 :: 28.072 CG2 :: 17.712 CD1 :: 13.683 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 :: 6.979 HA :: 3.968 HB :: 1.904 HG12 :: 1.248 HG13 :: 1.593 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 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 :: 118.885 Ave N Shift Values>> N :: 121.46(4.28) 1.Q166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.21 M 0.19 E 0.02 R 0.01 HN Overlap>> 1.R83 1.R83 C Shift Assignments>> C :: 174.808 CA :: 54.743 CB :: 30.183 CG :: 33.236 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 :: 7.490 HA :: 4.472 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.090 HG3 :: 2.202 HE21 :: 6.747 HE22 :: 7.364 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 :: 120.509 NE2 :: 111.834 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.07 C Shift Assignments>> C :: 175.496 CA :: 59.718 CB :: 33.115 CG :: 25.050 CD :: 29.450 CE :: 42.116 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 :: 8.085 HA :: 3.992 HB2 :: 1.506 HB3 :: 1.664 HG2 :: 1.243 HG3 :: 0.692 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.850 HE3 :: 2.850 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 :: 122.953 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 175.593 CA :: 56.417 CB :: 40.057 CD1 :: 133.458 CD2 :: 133.458 CE1 :: 117.887 CE2 :: 117.887 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 :: 7.740 HA :: 5.457 HB2 :: 2.612 HB3 :: 2.924 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.210 Ave N Shift Values>> N :: 120.52(4.2) 1.H169 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.62 H 0.18 Y 0.11 W 0.06 C Shift Assignments>> C :: 174.213 CA :: 55.233 CB :: 34.906 CD2 :: 117.921 CE1 :: 136.613 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.035 HA :: 4.526 HB2 :: 2.449 HB3 :: 2.627 HD2 :: 6.744 HE1 :: 7.813 HE2 :: 11.376 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.617 ND1 :: 244.454(A) NE2 :: 167.838 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.973 CA :: 61.620 CB :: 68.692 CG2 :: 21.274 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 :: 8.784 HA :: 4.722 HB :: 3.859 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.981 Ave N Shift Values>> N :: 115.42(4.75) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 HN Overlap>> 1.V46 1.V46 C Shift Assignments>> C :: 175.997 CA :: 60.770 CB :: 34.216 CG1 :: 21.180 CG2 :: 19.965 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.268 HA :: 3.751 HB :: 1.945 HG11 :: 0.573 HG12 :: 0.573 HG13 :: 0.573 HG21 :: 0.083 HG22 :: 0.083 HG23 :: 0.083 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.540 Ave N Shift Values>> N :: 121.14(4.54) 1.N172 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.53 C 0.15 Y 0.07 D 0.05 F 0.05 E 0.05 M 0.04 L 0.01 C Shift Assignments>> C :: 174.266 CA :: 53.184 CB :: 37.436 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.437 HA :: 4.065 HB2 :: 1.562(S) HB3 :: 2.836 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 :: 126.811 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.335 CA :: 45.154 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.194 HA2 :: 3.264 HA3 :: 3.656 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.629 Ave N Shift Values>> N :: 109.67(3.87) 1.H174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.31 C 0.23 C Shift Assignments>> CA :: 53.723 CB :: 31.589 CD2 :: 119.377 CE1 :: 138.468 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 :: 7.657 HA :: 4.860 HB2 :: 3.026 HB3 :: 3.026 HD2 :: 6.912 HE1 :: 7.780 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 :: 119.555 ND1 :: 226.101 NE2 :: 178.160 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.12 D 0.11 Y 0.09 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.918 CA :: 53.748 CB :: 38.185 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 :: 8.828 HA :: 4.794 HB2 :: 2.613 HB3 :: 2.613 HD21 :: 6.278 HD22 :: 7.314 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.936 ND2 :: 112.122 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.13 R 0.1 H 0.1 Q 0.08 K 0.07 I 0.06 V 0.03 M 0.02 C Shift Assignments>> C :: 173.853 CA :: 59.380 CB :: 29.966 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.078 HA :: 4.872 HB2 :: 2.816 HB3 :: 2.911 HG :: 1.976 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 :: 126.425 Ave N Shift Values>> N :: 120.17(4.64) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 M 0.24 Q 0.02 C Shift Assignments>> C :: 175.343 CA :: 55.296 CB :: 31.550 CG :: 36.461 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 :: 8.161 HA :: 4.661 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 2.047 HG3 :: 2.097 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.488 Ave N Shift Values>> N :: 120.67(3.48) 1.V178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 175.720 CA :: 59.713 CB :: 34.523 CG1 :: 22.689 CG2 :: 22.007 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 :: 8.684 HA :: 5.628 HB :: 1.930 HG11 :: 0.808 HG12 :: 0.808 HG13 :: 0.808 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.521 Ave N Shift Values>> N :: 121.14(4.54) 1.R179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.3 G 0.13 K 0.08 C Shift Assignments>> C :: 175.689 CA :: 54.212 CB :: 34.184 CG :: 26.861 CD :: 43.322 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 :: 8.701 HA :: 4.746 HB2 :: 1.690 HB3 :: 2.073 HG2 :: 1.595 HG3 :: 1.442 HD2 :: 3.017 HD3 :: 2.935 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 :: 119.915 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.K180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.37 K 0.11 G 0.01 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 176.026 CA :: 59.027 CB :: 33.377 CG :: 27.388 CD :: 29.916 CE :: 42.310 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 :: 8.990 HA :: 4.098 HB2 :: 1.767 HB3 :: 1.665 HG2 :: 1.619 HG3 :: 1.132 HD2 :: 1.633 HD3 :: 1.750 HE2 :: 2.973 HE3 :: 2.973 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 :: 121.001 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.05 C 0.01 HN Overlap>> 1.M47 1.M47 C Shift Assignments>> C :: 175.318 CA :: 51.432 CB :: 19.201 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.378 HA :: 4.565 HB1 :: 1.287 HB2 :: 1.287 HB3 :: 1.287 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.810 Ave N Shift Values>> N :: 123.23(3.54) 1.L182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.23 R 0.08 G 0.06 A 0.01 C Shift Assignments>> CA :: 54.737 CB :: 43.199 CG :: 27.390 CD1 :: 25.203 CD2 :: 23.942 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 :: 8.001 HA :: 4.401 HB2 :: 1.546 HB3 :: 1.546 HG :: 1.543 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 122.300 Ave N Shift Values>> N :: 121.86(3.9) 1.S183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.100 CB :: 64.440 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.406 HB2 :: 3.827 HB3 :: 3.938 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) 1.K184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.44 C 0.44 R 0.1 C Shift Assignments>> C :: 177.343 CA :: 57.744 CB :: 32.586 CG :: 24.792 CD :: 29.181 CE :: 42.041 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 :: 4.101 HB2 :: 1.733 HB3 :: 1.733 HG2 :: 1.371 HG3 :: 1.371 HD2 :: 1.604 HD3 :: 1.604 HE2 :: 2.901 HE3 :: 2.901 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.Q185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.26 E 0.09 R 0.04 M 0.03 C Shift Assignments>> C :: 176.718 CA :: 56.981 CB :: 28.990 CG :: 33.999 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 :: 8.320 HA :: 4.167 HB2 :: 1.955 HB3 :: 1.955 HG2 :: 2.299 HG3 :: 2.299 HE21 :: 6.774 HE22 :: 7.483 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 :: 120.056 NE2 :: 112.421 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.07 K 0.04 I 0.04 Q 0.03 C Shift Assignments>> C :: 177.117 CA :: 57.234 CB :: 30.235 CG :: 36.560 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 :: 8.143 HA :: 4.132 HB2 :: 1.957 HB3 :: 1.957 HG2 :: 2.189 HG3 :: 2.189 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 :: 121.610 Ave N Shift Values>> N :: 120.67(3.48) 1.M187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.4 A 0.08 HN Overlap>> 1.T62 1.T62 C Shift Assignments>> C :: 176.438 CA :: 56.069 CB :: 32.847 CG :: 32.167 CE :: 16.898 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 :: 8.195 HA :: 4.289 HB2 :: 2.023 HB3 :: 1.949 HG2 :: 2.437 HG3 :: 2.535 HE1 :: 1.985 HE2 :: 1.985 HE3 :: 1.985 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 :: 120.092 Ave N Shift Values>> N :: 120.09(3.57) 1.A188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.01 C Shift Assignments>> C :: 178.107 CA :: 52.912 CB :: 19.060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.060 HA :: 4.297 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.104 Ave N Shift Values>> N :: 123.23(3.54) 1.S189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.757 CA :: 58.598 CB :: 63.734 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.173 HA :: 4.357 HB2 :: 3.851 HB3 :: 3.851 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 :: 114.374 Ave N Shift Values>> N :: 116.28(3.52) 1.A190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> CA :: 53.015 CB :: 19.069 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.207 HA :: 4.246 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.637 Ave N Shift Values>> N :: 123.23(3.54) 1.S191 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S192 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S193 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q194 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R195 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R197 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 184 #Clerical: 0 #Suspicious: 10 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 182 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 197 #Suspicious: 0 C Shift Results: #Consistent: 800 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1254 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 195 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.R15 HG3 = 2.564(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.1394e-04 1.Q37 HB2 = 0.492(S), Expected = 2.05, Std = 0.2500, ChiSquare = 4.6052e-10 1.Q37 HB3 = 0.702(S), Expected = 2.02, Std = 0.2800, ChiSquare = 2.5121e-06 1.R56 HB2 = 0.897(S), Expected = 1.79, Std = 0.2700, ChiSquare = 9.4164e-04 1.H78 HE1 = 5.686(S), Expected = 7.95, Std = 0.4800, ChiSquare = 2.3974e-06 1.H78 ND1 = 242.838(A), Expected = 195.02, Std = 18.5100, ChiSquare = 9.7843e-03 1.E118 H = 11.190(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.2505e-06 1.E118 HB2 = 1.300(S), Expected = 2.02, Std = 0.2100, ChiSquare = 6.0677e-04 1.H121 ND1 = 254.201(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.3875e-03 1.Y125 HD1 = 5.886(S), Expected = 6.93, Std = 0.3000, ChiSquare = 5.0141e-04 1.Y125 HD2 = 5.886(S), Expected = 6.93, Std = 0.3000, ChiSquare = 5.0141e-04 1.Q128 HG2 = 1.374(S), Expected = 2.32, Std = 0.2700, ChiSquare = 4.5884e-04 1.A150 CB = 25.094(S), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8549e-04 1.S159 HB2 = 2.833(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.8142e-05 1.I163 HG12 = -0.598(S), Expected = 1.28, Std = 0.4000, ChiSquare = 2.6661e-06 1.H169 ND1 = 244.454(A), Expected = 195.02, Std = 18.5100, ChiSquare = 7.5701e-03 1.N172 HB2 = 1.562(S), Expected = 2.81, Std = 0.3100, ChiSquare = 5.6780e-05