Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 C 0.3 A 0.17 C Shift Assignments>> CA :: 54.788 CB :: 33.055 CG :: 31.845 CE :: 16.799 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.385 HB2 :: 1.962 HB3 :: 1.885 HG2 :: 2.525 HG3 :: 2.446 HE1 :: 2.024 HE2 :: 2.024 HE3 :: 2.024 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> CA :: 52.096 CB :: 19.072 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.413 HA :: 4.192 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.894 Ave N Shift Values>> N :: 123.23(3.54) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 HN Overlap>> 1.L63 1.L63 C Shift Assignments>> CA :: 51.943 CB :: 18.992 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.233 HA :: 4.226 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.543 Ave N Shift Values>> N :: 123.23(3.54) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.21 A 0.04 R 0.03 G 0.01 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> CA :: 53.885 CB :: 42.307 CG :: 26.742 CD1 :: 23.341 CD2 :: 25.258 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 :: 8.114 HA :: 4.284 HB2 :: 1.575 HB3 :: 1.316 HG :: 1.597 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.641 Ave N Shift Values>> N :: 121.86(3.9) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> CA :: 50.164 CB :: 17.687 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.623 HA :: 4.453 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.329 Ave N Shift Values>> N :: 123.23(3.54) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 62.403 CB :: 32.105 CG :: 27.365 CD :: 50.160 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 :: 4.274 HB2 :: 1.781 HB3 :: 2.243 HG2 :: 1.958 HG3 :: 1.958 HD2 :: 3.555 HD3 :: 3.752 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.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.36 C 0.24 HN Overlap>> 1.V139 1.V139 C Shift Assignments>> CA :: 52.914 CB :: 40.952 CG :: 27.086 CD1 :: 21.990 CD2 :: 25.924 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 :: 8.264 HA :: 4.324 HB2 :: 1.647 HB3 :: 1.423 HG :: 1.703 HD11 :: 0.368 HD12 :: 0.368 HD13 :: 0.368 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 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 :: 122.228 Ave N Shift Values>> N :: 121.86(3.9) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.92 C 0.03 L 0.01 C Shift Assignments>> CG :: 27.530 CD :: 49.388 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 :: 4.745 HG2 :: 1.976 HG3 :: 1.976 HD2 :: 3.225 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.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.648 CB :: 31.646 CG :: 27.889 CD :: 49.866 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 :: 4.200 HB2 :: 1.658 HB3 :: 2.215 HG2 :: 2.038 HG3 :: 1.928 HD2 :: 3.508 HD3 :: 3.744 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.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.24 G 0.11 R 0.06 HN Overlap>> 1.A24 1.A24 C Shift Assignments>> CA :: 53.064 CB :: 42.980 CG :: 25.511 CD1 :: 25.837 CD2 :: 26.300 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 :: 8.172 HA :: 3.742 HB2 :: 1.600 HB3 :: 1.288 HG :: 1.315 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.824 Ave N Shift Values>> N :: 121.86(3.9) 1.P11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> CA :: 62.124 CB :: 32.442 CD :: 50.715 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 :: 4.175 HB2 :: 1.937 HB3 :: 1.937 HD2 :: 2.468(S) HD3 :: 3.796 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.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> CA :: 55.057 CB :: 17.918 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.851 HA :: 3.920 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.292 Ave N Shift Values>> N :: 123.23(3.54) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.21 E 0.08 R 0.06 I 0.03 C Shift Assignments>> CA :: 58.436 CB :: 28.058 CG :: 34.238 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.448 HA :: 4.024 HB2 :: 1.833 HB3 :: 1.507 HG2 :: 2.496 HG3 :: 2.395 HE21 :: 7.486 HE22 :: 6.887 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 :: 115.075 NE2 :: 111.447 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 Y 0.03 W 0.01 C Shift Assignments>> CA :: 52.224 CB :: 36.841 CD2 :: 127.304(S) CE2 :: 131.087 CZ :: 129.091 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 :: 7.970 HA :: 4.865 HB2 :: 3.518 HB3 :: 2.737 HD1 :: 6.657 HD2 :: 6.657 HE1 :: 7.423 HE2 :: 7.423 HZ :: 7.577 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.832 Ave N Shift Values>> N :: 120.45(4.18) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.21 W 0.1 K 0.09 R 0.07 H 0.05 M 0.05 E 0.05 P 0.03 Q 0.02 C Shift Assignments>> CA :: 60.248 CB :: 32.137 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 :: 7.358 HA :: 3.852 HB2 :: 1.966 HB3 :: 1.853 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.886 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.099 CB :: 62.700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.733 HA :: 4.321 HB2 :: 3.980 HB3 :: 3.896 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.755 Ave N Shift Values>> N :: 116.28(3.52) 1.I17 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>> CA :: 60.675 CB :: 37.907 CG1 :: 26.925 CG2 :: 18.431 CD1 :: 13.887 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 :: 7.692 HA :: 6.002 HB :: 2.288 HG12 :: 1.324 HG13 :: 1.217 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 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 :: 113.676 Ave N Shift Values>> N :: 121.46(4.28) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.28 Q 0.15 R 0.06 M 0.04 P 0.01 C Shift Assignments>> CA :: 59.886 CB :: 29.027 CG :: 32.683 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 :: 7.810 HA :: 3.875 HB2 :: 2.103 HB3 :: 1.843 HG2 :: 2.129 HG3 :: 1.909 HE21 :: 7.315 HE22 :: 6.925 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 :: 122.213 NE2 :: 111.251 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.36 H 0.25 C Shift Assignments>> CA :: 58.358 CB :: 30.164 CD2 :: 115.499 CE1 :: 137.543 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 :: 9.436 HA :: 4.547 HB2 :: 3.041 HB3 :: 2.978 HD2 :: 6.386 HE1 :: 7.793 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 :: 118.333 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.31 H 0.1 C Shift Assignments>> CA :: 62.329 CB :: 30.170 CD2 :: 115.923 CE1 :: 138.354 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 :: 8.456 HA :: 3.958 HB2 :: 3.155 HB3 :: 3.036 HD2 :: 6.775 HE1 :: 7.944 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 :: 124.401 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.46 R 0.05 C Shift Assignments>> CA :: 57.730 CB :: 41.415 CG :: 27.108 CD1 :: 23.866 CD2 :: 26.298 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 :: 8.028 HA :: 4.096 HB2 :: 1.974 HB3 :: 1.639 HG :: 1.756 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 1.081 HD22 :: 1.081 HD23 :: 1.081 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.826 Ave N Shift Values>> N :: 121.86(3.9) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 K 0.08 Q 0.08 I 0.07 V 0.03 M 0.02 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> CA :: 59.535 CB :: 29.809 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 :: 8.103 HA :: 4.227 HB2 :: 1.990 HB3 :: 1.990 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 :: 121.674 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.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 67.072 CB :: 68.245 CG2 :: 21.831 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 :: 8.208 HA :: 4.113 HB :: 4.353 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 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 :: 116.419 Ave N Shift Values>> N :: 115.42(4.75) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.22 I 0.11 C 0.08 V 0.05 L 0.01 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> CA :: 56.675 CB :: 19.011 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.149 HA :: 3.928 HB1 :: 1.732 HB2 :: 1.732 HB3 :: 1.732 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.741 Ave N Shift Values>> N :: 123.23(3.54) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.24 K 0.22 E 0.13 R 0.04 I 0.03 C Shift Assignments>> CA :: 58.060 CB :: 28.423 CG :: 34.501 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 :: 7.785 HA :: 4.375 HB2 :: 2.258 HB3 :: 2.210 HG2 :: 2.547 HG3 :: 2.413 HE21 :: 7.356 HE22 :: 6.957 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 :: 115.916 NE2 :: 110.634 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.13 K 0.06 Q 0.02 M 0.01 HN Overlap>> 1.E137 1.L124 1.E137 1.L124 C Shift Assignments>> CA :: 58.165 CB :: 29.323 CG :: 36.701 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 :: 8.457 HA :: 4.089 HB2 :: 2.201 HB3 :: 1.989 HG2 :: 2.562 HG3 :: 2.220 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.821 Ave N Shift Values>> N :: 120.67(3.48) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.4 H 0.18 C Shift Assignments>> CA :: 59.076 CB :: 29.049 CD2 :: 124.608 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 :: 7.962 HA :: 4.380 HB2 :: 3.859 HB3 :: 2.715 HD2 :: 6.833 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 :: 115.762 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.13 C 0.13 L 0.05 K 0.03 D 0.03 C Shift Assignments>> CA :: 58.935 CB :: 40.355 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 :: 7.593 HA :: 4.332 HB2 :: 2.670 HB3 :: 2.510 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 :: 123.640 Ave N Shift Values>> N :: 120.65(3.86) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 M 0.18 C 0.16 Q 0.12 R 0.1 H 0.09 W 0.07 E 0.05 V 0.02 C Shift Assignments>> CA :: 56.654 CB :: 32.708 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 :: 8.013 HA :: 4.395 HB2 :: 1.837 HB3 :: 1.657 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 :: 113.398 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.17 M 0.13 R 0.09 Q 0.09 W 0.08 H 0.08 V 0.05 E 0.05 C Shift Assignments>> CA :: 57.994 CB :: 32.658 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 :: 7.873 HA :: 4.244 HB2 :: 1.762 HB3 :: 1.655 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.542 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.25 L 0.16 C 0.05 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> CA :: 52.200 CB :: 40.932 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 :: 8.808 HA :: 4.866 HB2 :: 2.907 HB3 :: 2.712 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 :: 112.265 Ave N Shift Values>> N :: 120.65(3.86) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.963 CB :: 32.908 CG :: 27.080 CD :: 50.493 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 :: 4.411 HB2 :: 2.518 HB3 :: 2.518 HG2 :: 2.097 HG3 :: 2.027 HD2 :: 3.527 HD3 :: 3.897 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.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> CA :: 66.518 CB :: 31.120 CG1 :: 21.652 CG2 :: 22.867 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 :: 7.656 HA :: 3.480 HB :: 2.047 HG11 :: 0.745 HG12 :: 0.745 HG13 :: 0.745 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.414 Ave N Shift Values>> N :: 121.14(4.54) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 66.828 CB :: 32.442 CG1 :: 21.491 CG2 :: 23.052 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 :: 7.234 HA :: 3.561 HB :: 2.070 HG11 :: 0.248 HG12 :: 0.248 HG13 :: 0.248 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 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 :: 120.456 Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.37 C 0.07 I 0.05 V 0.03 L 0.02 HN Overlap>> 1.F118 1.F118 C Shift Assignments>> CA :: 56.024 CB :: 19.264 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.096 HA :: 3.909 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.869 Ave N Shift Values>> N :: 123.23(3.54) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 C 0.33 Y 0.3 HN Overlap>> 1.H89 1.H89 C Shift Assignments>> CA :: 62.044 CB :: 38.136 CD2 :: 131.494 CE2 :: 117.692 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.271 HA :: 3.826 HB2 :: 2.849 HB3 :: 2.849 HD1 :: 6.028 HD2 :: 6.028 HE1 :: 6.475 HE2 :: 6.475 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.995 Ave N Shift Values>> N :: 120.52(4.2) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Y 0.32 F 0.21 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> CA :: 63.831 CB :: 37.749 CD2 :: 132.440 CE2 :: 117.322 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 :: 8.213 HA :: 4.046 HB2 :: 2.913 HB3 :: 2.747 HD1 :: 7.182 HD2 :: 7.182 HE1 :: 6.885 HE2 :: 6.885 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 :: 116.773 Ave N Shift Values>> N :: 120.52(4.2) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.41 C 0.1 V 0.01 W 0.01 C Shift Assignments>> CA :: 64.389 CB :: 27.945 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.695 HA :: 4.370 HB2 :: 3.051 HB3 :: 2.879 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 :: 116.194 Ave N Shift Values>> N :: 120.17(4.64) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.13 C 0.12 S 0.1 T 0.09 V 0.09 Y 0.09 F 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> CA :: 60.198 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 :: 7.005 HA :: 3.804 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.023 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.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.33 R 0.17 C Shift Assignments>> CA :: 58.181 CB :: 42.085 CG :: 27.589 CD1 :: 25.812 CD2 :: 26.371 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 :: 8.326 HA :: 3.813 HB2 :: 2.117 HB3 :: 1.525 HG :: 1.429 HD11 :: 0.411 HD12 :: 0.411 HD13 :: 0.411 HD21 :: 0.694 HD22 :: 0.694 HD23 :: 0.694 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.317 Ave N Shift Values>> N :: 121.86(3.9) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 Y 0.19 F 0.17 C 0.16 HN Overlap>> 1.E68 1.E68 C Shift Assignments>> CA :: 61.418 CB :: 38.953 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 :: 8.533 HA :: 3.732 HB2 :: 3.186 HB3 :: 2.966 HD1 :: 6.522 HD2 :: 6.522 HE1 :: 6.776 HE2 :: 6.776 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.320 Ave N Shift Values>> N :: 120.52(4.2) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 I 0.03 C 0.03 C Shift Assignments>> CA :: 55.157 CB :: 18.413 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.962 HA :: 3.482 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.644 Ave N Shift Values>> N :: 123.23(3.54) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.37 I 0.04 V 0.02 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> CA :: 58.675 CG :: 31.582 CE :: 17.407 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 :: 8.433 HA :: 3.696 HG2 :: 2.453 HG3 :: 2.239 HE1 :: 2.074 HE2 :: 2.074 HE3 :: 2.074 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.932 Ave N Shift Values>> N :: 120.09(3.57) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.2 R 0.07 E 0.06 I 0.03 HN Overlap>> 1.Y37 1.Y37 C Shift Assignments>> CA :: 58.924 CB :: 27.921 CG :: 34.037 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 :: 8.307 HA :: 3.773 HB2 :: 1.845 HB3 :: 1.807 HG2 :: 2.490 HG3 :: 2.221 HE21 :: 6.965 HE22 :: 6.855 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 :: 116.738 NE2 :: 108.045 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 66.529 CB :: 67.635 CG2 :: 20.732 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 :: 7.954 HA :: 3.479 HB :: 3.356 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 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 :: 116.249 Ave N Shift Values>> N :: 115.42(4.75) 1.G46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.653 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.429 HA2 :: 2.852 HA3 :: 2.618(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.016 Ave N Shift Values>> N :: 109.67(3.87) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.46 HN Overlap>> 1.H89 1.H89 C Shift Assignments>> CA :: 58.136 CB :: 32.445 CG :: 32.518 CE :: 16.517 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 :: 8.160 HA :: 3.876 HB2 :: 2.076 HB3 :: 1.968 HG2 :: 2.659 HG3 :: 2.541 HE1 :: 2.028 HE2 :: 2.028 HE3 :: 2.028 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 :: 118.040 Ave N Shift Values>> N :: 120.09(3.57) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.17 M 0.13 R 0.1 W 0.08 H 0.08 Q 0.08 E 0.06 V 0.05 C Shift Assignments>> CA :: 57.945 CB :: 32.533 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 :: 6.958 HA :: 4.012 HB2 :: 1.866 HB3 :: 1.866 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 :: 116.712 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 64.863 CB :: 39.087 CG1 :: 28.259 CG2 :: 16.770 CD1 :: 13.829 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 :: 7.609 HA :: 3.718 HB :: 1.887 HG12 :: 1.800 HG13 :: 0.964 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.903 Ave N Shift Values>> N :: 121.46(4.28) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 F 0.14 Y 0.11 K 0.11 C 0.06 N 0.06 C Shift Assignments>> CA :: 55.393 CB :: 40.952 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 :: 8.214 HA :: 4.488 HB2 :: 3.030 HB3 :: 2.797 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.959 Ave N Shift Values>> N :: 120.65(3.86) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.544 CB :: 64.126 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.438 HA :: 4.566 HB2 :: 4.031 HB3 :: 3.892 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 :: 115.917 Ave N Shift Values>> N :: 116.28(3.52) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 G 0.02 R 0.01 C Shift Assignments>> CB :: 35.344 CG :: 24.775 CE :: 41.965 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 :: 8.937 HA :: 4.438 HB2 :: 1.831 HB3 :: 1.764 HG2 :: 1.446 HG3 :: 1.336 HE2 :: 2.955 HE3 :: 2.955 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 :: 122.213 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> CA :: 61.837 CB :: 68.067 CG2 :: 22.223 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.437 HA :: 4.273 HB :: 3.996 HG21 :: 1.333 HG22 :: 1.333 HG23 :: 1.333 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 :: 122.291 Ave N Shift Values>> N :: 115.42(4.75) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 66.870 CB :: 31.670 CG :: 27.544 CD :: 50.793 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 :: 4.050 HB2 :: 2.000 HB3 :: 2.354 HG2 :: 2.244 HG3 :: 2.042 HD2 :: 3.850 HD3 :: 4.059 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.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 I 0.24 K 0.07 Q 0.03 C Shift Assignments>> CA :: 59.870 CB :: 28.759 CG :: 36.127 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 :: 9.352 HA :: 4.024 HB2 :: 2.024 HB3 :: 1.907 HG2 :: 2.271 HG3 :: 2.271 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 :: 116.532 Ave N Shift Values>> N :: 120.67(3.48) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 I 0.37 C 0.11 W 0.01 R 0.01 C Shift Assignments>> CA :: 63.167 CB :: 26.891 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.126 HA :: 3.759 HB2 :: 3.164 HB3 :: 2.701 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.066 Ave N Shift Values>> N :: 120.17(4.64) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 I 0.11 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 HN Overlap>> 1.K112 1.K112 C Shift Assignments>> CA :: 60.025 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 :: 8.252 HA :: 3.876 HB3 :: 1.740 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 :: 119.779 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.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.13 V 0.11 W 0.11 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.03 C Shift Assignments>> CA :: 59.205 CB :: 32.127 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 :: 8.394 HA :: 4.056 HB2 :: 1.830 HB3 :: 1.830 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 :: 119.155 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.29 C 0.21 C Shift Assignments>> CA :: 63.103 CB :: 39.644 CD1 :: 131.115 CE1 :: 130.496 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 :: 7.720 HA :: 3.748 HB2 :: 3.298 HB3 :: 3.298 HD1 :: 7.147 HD2 :: 7.147 HE1 :: 7.308 HE2 :: 7.308 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.989 Ave N Shift Values>> N :: 120.45(4.18) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.31 K 0.02 C Shift Assignments>> CA :: 57.969 CB :: 41.187 CD1 :: 22.587 CD2 :: 26.252 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 :: 8.685 HA :: 3.991 HB2 :: 2.058 HB3 :: 1.413 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 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 :: 117.203 Ave N Shift Values>> N :: 121.86(3.9) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.650 CB :: 62.589 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.107 HA :: 4.188 HB2 :: 3.988 HB3 :: 3.988 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 :: 114.724 Ave N Shift Values>> N :: 116.28(3.52) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 C 0.13 W 0.13 E 0.13 Q 0.09 M 0.09 K 0.08 V 0.01 C Shift Assignments>> CA :: 57.139 CB :: 30.881 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 :: 7.541 HA :: 4.147 HB2 :: 1.710 HB3 :: 1.710 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.164 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.47 R 0.02 HN Overlap>> 1.A3 1.A3 C Shift Assignments>> CA :: 57.709 CB :: 41.222 CG :: 27.210 CD1 :: 23.136 CD2 :: 25.730 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 :: 8.238 HA :: 3.926 HB2 :: 1.856 HB3 :: 1.108 HG :: 1.466 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.446 Ave N Shift Values>> N :: 121.86(3.9) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 A 0.01 C Shift Assignments>> CA :: 58.644 CB :: 31.625 CG :: 32.091 CE :: 18.082 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 :: 8.608 HA :: 4.143 HB2 :: 2.330 HB3 :: 2.183 HG2 :: 2.437 HG3 :: 2.381 HE1 :: 2.019 HE2 :: 2.019 HE3 :: 2.019 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 :: 120.864 Ave N Shift Values>> N :: 120.09(3.57) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.13 D 0.1 L 0.09 I 0.06 N 0.02 K 0.01 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> CA :: 57.390 CB :: 39.956 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 :: 7.857 HA :: 4.373 HB2 :: 2.872 HB3 :: 2.626 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 :: 119.121 Ave N Shift Values>> N :: 120.65(3.86) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.32 R 0.06 E 0.06 P 0.05 I 0.03 M 0.01 HN Overlap>> 1.Y100 1.Y100 C Shift Assignments>> CB :: 28.222 CG :: 34.031 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 :: 7.703 HA :: 4.084 HB2 :: 2.449 HB3 :: 1.812 HG2 :: 2.832 HG3 :: 2.251 HE21 :: 7.558 HE22 :: 6.720 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.748 NE2 :: 110.964 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.35 C Shift Assignments>> CA :: 58.914 CG :: 26.933 CD1 :: 23.341 CD2 :: 25.963 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 :: 8.356 HA :: 3.890 HG :: 1.424 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.953 HD22 :: 0.953 HD23 :: 0.953 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.349 Ave N Shift Values>> N :: 121.86(3.9) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.15 K 0.07 Q 0.03 M 0.01 HN Overlap>> 1.Y41 1.Y41 C Shift Assignments>> CA :: 59.174 CB :: 29.419 CG :: 36.242 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 :: 8.547 HA :: 4.018 HB2 :: 2.106 HB3 :: 2.051 HG2 :: 2.403 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 :: 118.268 Ave N Shift Values>> N :: 120.67(3.48) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.937 CB :: 18.147 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.853 HA :: 4.126 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.349 Ave N Shift Values>> N :: 123.23(3.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.41 R 0.09 G 0.02 C Shift Assignments>> CA :: 57.750 CB :: 42.623 CG :: 27.492 CD1 :: 23.454 CD2 :: 25.137 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 :: 8.553 HA :: 4.016 HB2 :: 2.064 HB3 :: 1.582 HG :: 1.815 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.257 Ave N Shift Values>> N :: 121.86(3.9) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.8 R 0.18 C Shift Assignments>> CB :: 32.132 CG :: 25.575 CE :: 41.919 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 :: 8.636 HA :: 3.431 HB2 :: 1.950 HB3 :: 1.863 HG2 :: 1.223 HG3 :: 1.223 HE2 :: 2.841 HE3 :: 2.841 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.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 V 0.03 M 0.03 T 0.03 L 0.01 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> CA :: 58.936 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 :: 7.620 HA :: 4.007 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.417 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.27 E 0.06 R 0.04 M 0.03 I 0.01 HN Overlap>> 1.D65 1.D65 1.M97 1.M97 C Shift Assignments>> CA :: 58.084 CB :: 29.044 CG :: 33.697 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 :: 7.798 HA :: 4.027 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 2.496 HG3 :: 2.313 HE21 :: 7.309 HE22 :: 6.759 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.180 NE2 :: 109.828 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.09 A 0.04 G 0.01 HN Overlap>> 1.C155 1.C155 C Shift Assignments>> CA :: 55.050 CB :: 42.380 CG :: 26.888 CD1 :: 22.985 CD2 :: 25.778 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.050 HA :: 4.258 HB2 :: 1.574 HB3 :: 1.349 HG :: 1.648 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.502 HD22 :: 0.502 HD23 :: 0.502 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.230 Ave N Shift Values>> N :: 121.86(3.9) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.098 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.420 HA2 :: 3.756 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 :: 106.441 Ave N Shift Values>> N :: 109.67(3.87) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.28 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> CA :: 53.148 CB :: 39.714 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 :: 8.332 HA :: 4.533 HB2 :: 2.631 HB3 :: 2.631 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 :: 121.520 Ave N Shift Values>> N :: 120.65(3.86) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.25 L 0.13 F 0.1 Y 0.09 C 0.07 K 0.01 C Shift Assignments>> CA :: 54.063 CB :: 40.058 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.725 HA :: 4.489 HB2 :: 2.632 HB3 :: 2.632 HD21 :: 7.727 HD22 :: 6.793 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.250 ND2 :: 112.853 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 I 0.13 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> CA :: 58.888 CB :: 29.698 CG :: 36.490 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 :: 9.282 HA :: 4.225 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.329 HG3 :: 2.329 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 :: 129.390 Ave N Shift Values>> N :: 120.67(3.48) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 C Shift Assignments>> CA :: 53.222 CB :: 19.347 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.285 HA :: 4.079 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.576 Ave N Shift Values>> N :: 123.23(3.54) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.36 C Shift Assignments>> CA :: 59.695 CB :: 36.642 CG1 :: 27.396 CG2 :: 17.123 CD1 :: 10.373 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 :: 7.857 HA :: 4.043 HB :: 2.074 HG12 :: 1.109 HG13 :: 1.014 HG21 :: 0.409 HG22 :: 0.409 HG23 :: 0.409 HD11 :: 0.142 HD12 :: 0.142 HD13 :: 0.142 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.410 Ave N Shift Values>> N :: 121.46(4.28) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 63.509 CB :: 68.764 CG2 :: 22.178 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 :: 7.869 HA :: 4.079 HB :: 4.242 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.649 Ave N Shift Values>> N :: 115.42(4.75) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 Q 0.37 M 0.07 R 0.04 P 0.04 E 0.01 C Shift Assignments>> CB :: 29.184 CG :: 33.121 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 :: 8.016 HA :: 4.743 HB2 :: 2.307 HB3 :: 2.010 HG2 :: 2.418 HG3 :: 2.379 HE21 :: 7.450 HE22 :: 6.793 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 :: 120.522 NE2 :: 111.588 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.37 E 0.19 K 0.01 C Shift Assignments>> CA :: 60.736 CB :: 29.353 CG :: 37.032 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 :: 9.146 HA :: 4.011 HB2 :: 2.266 HB3 :: 2.178 HG2 :: 2.608 HG3 :: 2.608 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.907 Ave N Shift Values>> N :: 120.67(3.48) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> CA :: 63.908 CB :: 37.762 CG1 :: 28.284 CG2 :: 17.611 CD1 :: 13.375 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 :: 8.460 HA :: 3.764 HB :: 1.818 HG12 :: 1.476 HG13 :: 1.222 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 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 :: 115.693 Ave N Shift Values>> N :: 121.46(4.28) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> CA :: 65.226 CB :: 31.142 CG1 :: 21.091 CG2 :: 22.518 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 :: 7.034 HA :: 3.714 HB :: 2.380 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.415 Ave N Shift Values>> N :: 121.14(4.54) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 A 0.13 N 0.05 D 0.01 C 0.01 G 0.01 C Shift Assignments>> CA :: 49.167 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.139 HA2 :: 3.828 HA3 :: 3.700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.422 Ave N Shift Values>> N :: 109.67(3.87) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.23 C 0.23 K 0.04 R 0.02 W 0.01 V 0.01 C Shift Assignments>> CA :: 62.064 CB :: 25.682 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.052 HA :: 2.923 HB2 :: 2.460 HB3 :: 2.460 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 :: 121.087 Ave N Shift Values>> N :: 120.17(4.64) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.895 CB :: 17.680 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.230 HA :: 4.109 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.739 Ave N Shift Values>> N :: 123.23(3.54) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.35 H 0.15 HN Overlap>> 1.M47 1.Y36 1.M47 1.Y36 C Shift Assignments>> CA :: 59.587 CB :: 30.446 CD2 :: 115.469 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 :: 8.190 HA :: 4.172 HB2 :: 3.393 HB3 :: 3.251 HD2 :: 6.383 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 :: 118.056 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 R 0.18 L 0.07 K 0.03 HN Overlap>> 1.E171 1.D172 1.E171 1.D172 C Shift Assignments>> CA :: 57.959 CB :: 41.434 CG :: 29.640 CD1 :: 25.105 CD2 :: 25.940 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 :: 8.115 HA :: 3.953 HB2 :: 1.964 HB3 :: 1.566 HG :: 1.885 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 1.015 HD22 :: 1.015 HD23 :: 1.015 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 121.86(3.9) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.27 I 0.25 K 0.02 M 0.01 C Shift Assignments>> CA :: 60.130 CB :: 29.870 CG :: 37.019 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 :: 9.186 HA :: 3.801 HB2 :: 2.091 HB3 :: 1.989 HG2 :: 2.296 HG3 :: 2.136 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.711 Ave N Shift Values>> N :: 120.67(3.48) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.21 C 0.17 N 0.12 D 0.08 I 0.04 E 0.04 L 0.04 M 0.01 C Shift Assignments>> CA :: 56.280 CB :: 38.464 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 :: 8.392 HA :: 4.411 HB2 :: 2.889 HB3 :: 2.685 HD21 :: 7.651 HD22 :: 6.968 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.626 ND2 :: 113.075 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.35 C 0.25 HN Overlap>> 1.R109 1.R109 C Shift Assignments>> CA :: 59.339 CB :: 38.593 CD2 :: 131.715 CE2 :: 117.913 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 :: 7.742 HA :: 4.465 HB2 :: 3.081 HB3 :: 2.898 HD1 :: 6.973 HD2 :: 6.973 HE1 :: 6.729 HE2 :: 6.729 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.123 Ave N Shift Values>> N :: 120.52(4.2) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.04 C 0.02 HN Overlap>> 1.T161 1.T161 C Shift Assignments>> CA :: 55.340 CB :: 17.779 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.811 HA :: 3.742 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.589 Ave N Shift Values>> N :: 123.23(3.54) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.99 C Shift Assignments>> CB :: 40.964 CG :: 26.969 CD1 :: 23.250 CD2 :: 24.013 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 :: 8.345 HA :: 4.132 HB2 :: 1.790 HB3 :: 1.790 HG :: 1.695 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.32 R 0.09 V 0.03 P 0.02 Q 0.01 HN Overlap>> 1.W147 1.W147 C Shift Assignments>> CA :: 59.877 CB :: 32.096 CG :: 25.217 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 :: 8.057 HA :: 3.971 HB2 :: 2.023 HB3 :: 1.941 HG2 :: 1.613 HG3 :: 1.428 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 :: 119.704 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.37 V 0.02 I 0.01 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> CA :: 59.020 CB :: 32.949 CE :: 17.297 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 :: 7.791 HA :: 4.146 HB2 :: 2.080 HB3 :: 2.080 HE1 :: 1.704 HE2 :: 1.704 HE3 :: 1.704 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.269 Ave N Shift Values>> N :: 120.09(3.57) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.27 F 0.2 C Shift Assignments>> CA :: 62.257 CB :: 39.929 CD2 :: 129.898 CE2 :: 130.037 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 :: 8.584 HA :: 3.686 HB2 :: 3.330 HB3 :: 2.957 HD1 :: 6.983 HD2 :: 6.983 HE1 :: 7.372 HE2 :: 7.372 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.493 Ave N Shift Values>> N :: 120.45(4.18) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.45 R 0.02 C Shift Assignments>> CA :: 57.670 CB :: 41.371 CG :: 27.005 CD1 :: 22.473 CD2 :: 25.401 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 :: 9.148 HA :: 3.923 HB2 :: 1.878 HB3 :: 1.491 HG :: 1.946 HD11 :: 0.956 HD12 :: 0.956 HD13 :: 0.956 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.196 Ave N Shift Values>> N :: 121.86(3.9) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 HN Overlap>> 1.Q66 1.Q66 C Shift Assignments>> CA :: 60.511 CB :: 37.397 CD1 :: 132.841 CE1 :: 116.639 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 :: 7.699 HA :: 4.179 HB2 :: 3.262 HB3 :: 2.961 HD1 :: 7.042 HD2 :: 7.042 HE1 :: 6.469 HE2 :: 6.469 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.695 Ave N Shift Values>> N :: 120.52(4.2) 1.A101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.77 A 0.18 I 0.02 C 0.01 C Shift Assignments>> CA :: 55.042 CB :: 16.049 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.385 HA :: 2.916 HB1 :: 0.129(S) HB2 :: 0.129(S) HB3 :: 0.129(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.078 Ave N Shift Values>> N :: 123.23(3.54) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.23 K 0.14 F 0.1 D 0.07 Y 0.06 C 0.06 G 0.02 C Shift Assignments>> CA :: 57.049 CB :: 42.898 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.539 HA :: 4.287 HB2 :: 2.344 HB3 :: 2.118 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 :: 117.073 Ave N Shift Values>> N :: 120.65(3.86) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.2 C 0.18 N 0.11 D 0.07 E 0.05 I 0.05 L 0.03 M 0.02 C Shift Assignments>> CA :: 56.386 CB :: 38.332 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.970 HA :: 4.264 HB2 :: 2.865 HB3 :: 2.711 HD21 :: 7.702 HD22 :: 6.838 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.630 ND2 :: 113.557 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.03 L 0.01 C Shift Assignments>> CA :: 58.982 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 :: 7.474 HA :: 3.619 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.811 Ave N Shift Values>> N :: 120.67(3.48) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.23 G 0.1 F 0.09 C 0.07 Y 0.05 D 0.03 K 0.03 C Shift Assignments>> CA :: 57.508 CB :: 43.738 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 :: 8.212 HA :: 3.818 HB2 :: 3.052 HB3 :: 2.736 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 :: 120.013 Ave N Shift Values>> N :: 120.65(3.86) 1.R106 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 0.11 H 0.1 Q 0.08 K 0.07 I 0.04 M 0.03 V 0.03 C Shift Assignments>> CA :: 59.150 CB :: 30.083 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 :: 8.532 HA :: 3.804 HB2 :: 1.713 HB3 :: 1.713 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 :: 116.747 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.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> CA :: 51.407 CB :: 18.572 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.302 HA :: 4.232 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.388 Ave N Shift Values>> N :: 123.23(3.54) 1.G108 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>> CA :: 45.735 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.905 HA2 :: 3.726 HA3 :: 3.307 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.840 Ave N Shift Values>> N :: 109.67(3.87) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.1 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.04 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 HN Overlap>> 1.Y93 1.Y93 C Shift Assignments>> CA :: 55.361 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 :: 7.642 HA :: 4.126 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 :: 121.140 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.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 Y 0.24 F 0.19 W 0.17 C Shift Assignments>> CA :: 55.415 CD2 :: 130.763 CE2 :: 131.243 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 :: 7.644 HA :: 4.950 HB2 :: 2.800 HB3 :: 2.800 HD1 :: 7.114 HD2 :: 7.114 HE1 :: 7.550 HE2 :: 7.550 HZ :: 7.020 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.534 Ave N Shift Values>> N :: 120.45(4.18) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 W 0.46 C Shift Assignments>> CB :: 32.022 CD2 :: 119.948 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 :: 6.789 HA :: 4.757 HB2 :: 3.510 HB3 :: 3.257 HD2 :: 6.689 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 :: 116.408 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R57 1.R57 H Shift Assignments>> H :: 8.267 HA :: 4.059 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 N 0.24 Y 0.19 F 0.12 C 0.1 D 0.03 E 0.02 C Shift Assignments>> CB :: 38.295 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 :: 8.831 HA :: 4.737 HB2 :: 3.174 HB3 :: 3.064 HD21 :: 7.481 HD22 :: 6.984 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.047 ND2 :: 113.298 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 I 0.38 C 0.04 A 0.02 V 0.02 C Shift Assignments>> CA :: 58.194 CE :: 17.817 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 :: 8.520 HA :: 4.379 HE1 :: 2.250 HE2 :: 2.250 HE3 :: 2.250 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.081 Ave N Shift Values>> N :: 120.09(3.57) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> CA :: 66.869 CB :: 39.162 CG2 :: 18.005 CD1 :: 14.976 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 :: 7.737 HA :: 3.651 HB :: 1.898 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.193 Ave N Shift Values>> N :: 121.46(4.28) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 V 0.13 K 0.12 W 0.11 R 0.09 M 0.08 H 0.07 E 0.07 Q 0.03 C Shift Assignments>> CA :: 59.379 CB :: 32.097 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 :: 8.393 HA :: 4.150 HB2 :: 2.060 HB3 :: 1.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.167 CB :: 63.135 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.138 HA :: 4.096 HB2 :: 4.095 HB3 :: 4.095 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.471 Ave N Shift Values>> N :: 116.28(3.52) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.32 F 0.11 HN Overlap>> 1.A35 1.A35 C Shift Assignments>> CA :: 61.176 CB :: 38.889 CD2 :: 129.428 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 :: 8.168 HA :: 4.408 HB2 :: 3.701 HB3 :: 3.195 HD1 :: 7.022 HD2 :: 7.022 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.885 Ave N Shift Values>> N :: 120.45(4.18) 1.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> CA :: 62.261 CB :: 38.498 CD1 :: 131.410 CE1 :: 117.732 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 :: 8.693 HA :: 3.935 HB2 :: 2.988 HB3 :: 2.988 HD1 :: 6.873 HD2 :: 6.873 HE1 :: 6.466 HE2 :: 6.466 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.356 Ave N Shift Values>> N :: 120.52(4.2) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 67.393 CB :: 68.041 CG2 :: 21.626 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.582 HA :: 3.705 HB :: 4.458 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 117.468 Ave N Shift Values>> N :: 115.42(4.75) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 I 0.12 A 0.11 C 0.02 C Shift Assignments>> CA :: 56.508 CB :: 17.325 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.444 HA :: 3.940 HB1 :: 1.687 HB2 :: 1.687 HB3 :: 1.687 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.210 Ave N Shift Values>> N :: 123.23(3.54) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.531 CB :: 63.051 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.724 HA :: 4.009 HB2 :: 4.071 HB3 :: 4.071 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.334 Ave N Shift Values>> N :: 116.28(3.52) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 L 0.11 R 0.06 A 0.05 C Shift Assignments>> CA :: 57.100 CB :: 41.615 CG :: 25.348 CD1 :: 21.762 CD2 :: 27.210 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 :: 7.507 HA :: 4.092 HB2 :: 1.876 HB3 :: 0.940 HG :: 1.364 HD11 :: 0.079 HD12 :: 0.079 HD13 :: 0.079 HD21 :: 0.442 HD22 :: 0.442 HD23 :: 0.442 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 :: 122.307 Ave N Shift Values>> N :: 121.86(3.9) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.21 K 0.17 A 0.01 HN Overlap>> 1.M43 1.M43 1.E26 1.E26 C Shift Assignments>> CA :: 56.967 CB :: 41.832 CD1 :: 22.743 CD2 :: 27.266 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 :: 8.457 HA :: 3.935 HB2 :: 2.014 HB3 :: 1.203 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 117.851 Ave N Shift Values>> N :: 121.86(3.9) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> CA :: 65.097 CB :: 36.775 CD1 :: 12.544 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 :: 7.766 HA :: 3.718 HB :: 1.690 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 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 :: 118.695 Ave N Shift Values>> N :: 121.46(4.28) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.11 D 0.05 L 0.04 N 0.01 C Shift Assignments>> CA :: 57.998 CB :: 39.372 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 :: 7.288 HA :: 4.128 HB2 :: 3.192 HB3 :: 2.187 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 :: 117.428 Ave N Shift Values>> N :: 120.65(3.86) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> CA :: 65.615 CB :: 30.498 CG1 :: 21.495 CG2 :: 23.222 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 :: 7.366 HA :: 2.992 HB :: 2.506 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 120.003 Ave N Shift Values>> N :: 121.14(4.54) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.K143 1.K143 C Shift Assignments>> CA :: 64.219 CB :: 37.930 CG1 :: 30.694 CG2 :: 18.297 CD1 :: 13.653 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 :: 7.727 HA :: 3.956 HB :: 2.302 HG12 :: 1.204 HG13 :: 1.204 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.743 Ave N Shift Values>> N :: 121.46(4.28) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 64.808 CB :: 69.759 CG2 :: 21.087 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 :: 7.873 HA :: 4.638 HB :: 4.361 HG21 :: 1.558 HG22 :: 1.558 HG23 :: 1.558 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.535 Ave N Shift Values>> N :: 115.42(4.75) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> CA :: 64.220 CB :: 31.307 CG1 :: 18.290 CG2 :: 20.589 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 :: 8.381 HA :: 4.014 HB :: 1.946 HG11 :: 0.284 HG12 :: 0.284 HG13 :: 0.284 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 118.351 Ave N Shift Values>> N :: 121.14(4.54) 1.F131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.4 Y 0.34 C 0.25 C Shift Assignments>> CA :: 57.840 CB :: 39.029 CD2 :: 131.008 CE2 :: 129.755 CZ :: 128.060 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 :: 7.638 HA :: 4.567 HB2 :: 3.419 HB3 :: 2.863 HD1 :: 7.410 HD2 :: 7.410 HE1 :: 6.866 HE2 :: 6.866 HZ :: 5.410(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.227 Ave N Shift Values>> N :: 120.45(4.18) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.921 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.433 HA2 :: 4.489 HA3 :: 3.757 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.811 Ave N Shift Values>> N :: 109.67(3.87) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.1 Q 0.08 K 0.08 I 0.02 C Shift Assignments>> CA :: 56.504 CB :: 30.184 CG :: 35.999 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 :: 8.278 HA :: 4.082 HB2 :: 1.929 HB3 :: 1.854 HG2 :: 2.297 HG3 :: 2.297 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.340 Ave N Shift Values>> N :: 120.67(3.48) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.28 C 0.22 A 0.11 C Shift Assignments>> CA :: 54.169 CB :: 43.997 CD1 :: 22.588 CD2 :: 25.695 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 :: 8.410 HA :: 4.405 HB2 :: 1.692 HB3 :: 1.366 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 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 :: 122.134 Ave N Shift Values>> N :: 121.86(3.9) 1.T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 60.449 CB :: 70.386 CG2 :: 22.172 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 :: 8.192 HA :: 4.220 HB :: 4.614 HG21 :: 1.324 HG22 :: 1.324 HG23 :: 1.324 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.032 Ave N Shift Values>> N :: 115.42(4.75) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 D 0.11 C 0.11 K 0.06 I 0.05 N 0.01 C Shift Assignments>> CA :: 57.415 CB :: 40.518 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 :: 8.793 HA :: 4.191 HB2 :: 2.585 HB3 :: 2.506 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 :: 121.429 Ave N Shift Values>> N :: 120.65(3.86) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.19 K 0.07 Q 0.03 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> CA :: 59.503 CB :: 29.175 CG :: 36.258 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 :: 8.427 HA :: 3.670 HB2 :: 1.775 HB3 :: 1.569 HG2 :: 1.900 HG3 :: 1.900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.727 Ave N Shift Values>> N :: 120.67(3.48) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 Y 0.19 C 0.19 F 0.15 E 0.09 D 0.06 M 0.03 I 0.02 L 0.02 C Shift Assignments>> CA :: 55.536 CB :: 37.903 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.504 HA :: 4.488 HB2 :: 2.912 HB3 :: 2.494 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.528 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> CA :: 67.168 CB :: 31.765 CG1 :: 20.972 CG2 :: 23.693 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 :: 8.249 HA :: 3.383 HB :: 2.203 HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 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 :: 122.269 Ave N Shift Values>> N :: 121.14(4.54) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 K 0.41 R 0.07 C Shift Assignments>> CA :: 59.691 CB :: 32.044 CG :: 25.405 CE :: 41.698 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 :: 7.994 HA :: 3.947 HB2 :: 1.738 HB3 :: 1.738 HG2 :: 1.496 HG3 :: 1.289 HE2 :: 2.806 HE3 :: 2.806 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.H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 H 0.34 W 0.26 C Shift Assignments>> CA :: 57.657 CB :: 28.500 CD2 :: 118.194 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 :: 8.491 HA :: 4.296 HB2 :: 2.960 HB3 :: 2.195 HD2 :: 6.510 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.389 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.356 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 :: 8.529 HA :: 3.728 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.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.14 K 0.14 M 0.09 W 0.08 Q 0.07 R 0.07 H 0.05 E 0.04 HN Overlap>> 1.I128 1.I128 C Shift Assignments>> CA :: 59.368 CB :: 32.794 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 :: 7.664 HA :: 4.050 HB2 :: 1.917 HB3 :: 1.917 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 :: 117.710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 62.445 CB :: 39.542 CD1 :: 132.103 CE1 :: 117.465 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 :: 8.269 HA :: 4.275 HB2 :: 3.303 HB3 :: 3.120 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 6.816 HE2 :: 6.816 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) 1.A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.37 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.777 CB :: 18.761 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.825 HA :: 3.667 HB1 :: 2.001 HB2 :: 2.001 HB3 :: 2.001 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.744 Ave N Shift Values>> N :: 123.23(3.54) 1.R146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.12 R 0.11 H 0.09 Q 0.06 V 0.06 I 0.05 K 0.04 M 0.03 C Shift Assignments>> CA :: 59.666 CB :: 30.400 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 :: 8.024 HA :: 3.865 HB2 :: 2.010 HB3 :: 2.010 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 :: 116.092 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.W147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.4 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> CA :: 60.996 CB :: 28.593 CD1 :: 126.486 CE3 :: 119.701 CZ2 :: 114.010 CZ3 :: 120.745 CH2 :: 123.421 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.014 HA :: 4.224 HB2 :: 3.322 HB3 :: 3.231 HD1 :: 7.123 HE1 :: 9.992 HE3 :: 7.106 HZ2 :: 7.006 HZ3 :: 6.569 HH2 :: 6.557 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 :: 119.666 NE1 :: 129.440 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.16 W 0.15 E 0.13 R 0.13 H 0.12 Q 0.08 K 0.07 M 0.06 V 0.03 I 0.01 C Shift Assignments>> CA :: 58.399 CB :: 30.846 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 :: 8.619 HA :: 3.212 HB2 :: 0.704(S) HB3 :: 0.482(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.775 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.57 A 0.3 I 0.06 C 0.04 V 0.01 C Shift Assignments>> CA :: 55.906 CB :: 18.443 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.813 HA :: 3.889 HB1 :: 1.485 HB2 :: 1.485 HB3 :: 1.485 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.282 CB :: 68.853 CG2 :: 21.831 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 :: 7.232 HA :: 3.721 HB :: 4.108 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.174 Ave N Shift Values>> N :: 115.42(4.75) 1.Y151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> CA :: 60.334 CB :: 38.246 CD1 :: 132.298 CE1 :: 117.234 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 :: 8.513 HA :: 4.005 HB2 :: 2.207 HB3 :: 2.041 HD1 :: 6.743 HD2 :: 6.743 HE1 :: 6.683 HE2 :: 6.683 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 :: 123.353 Ave N Shift Values>> N :: 120.52(4.2) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 65.885 CB :: 38.194 CG2 :: 18.773 CD1 :: 14.958 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 :: 8.860 HA :: 2.789 HB :: 1.657 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 HD11 :: 1.093 HD12 :: 1.093 HD13 :: 1.093 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 :: 119.933 Ave N Shift Values>> N :: 121.46(4.28) 1.H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 E 0.1 V 0.09 R 0.09 H 0.07 I 0.07 Q 0.05 K 0.04 M 0.02 P 0.01 C Shift Assignments>> CA :: 60.290 CB :: 30.363 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 :: 7.757 HA :: 3.957 HB2 :: 3.251 HB3 :: 3.145 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.221 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 E 0.14 F 0.14 N 0.13 M 0.04 D 0.04 I 0.03 L 0.01 C Shift Assignments>> CA :: 55.977 CB :: 37.579 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 :: 8.355 HA :: 4.124 HB2 :: 2.856 HB3 :: 2.610 HD21 :: 7.643 HD22 :: 7.049 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.429 ND2 :: 112.515 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.37 C 0.11 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> CA :: 64.039 CB :: 26.124 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.020 HA :: 3.881 HB2 :: 2.465 HB3 :: 2.465 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.306 Ave N Shift Values>> N :: 120.17(4.64) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.35 A 0.01 C Shift Assignments>> CA :: 57.844 CB :: 40.196 CG :: 27.102 CD1 :: 22.127 CD2 :: 24.936 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 :: 8.139 HA :: 3.944 HB2 :: 1.643 HB3 :: 1.401 HG :: 1.746 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.448 Ave N Shift Values>> N :: 121.86(3.9) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.37 V 0.07 R 0.02 HN Overlap>> 1.I175 1.I175 C Shift Assignments>> CA :: 58.474 CB :: 31.852 CG :: 24.045 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 :: 7.912 HA :: 3.896 HB2 :: 1.596 HB3 :: 1.596 HG2 :: 1.243 HG3 :: 1.243 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 I 0.18 N 0.17 D 0.09 C 0.06 L 0.03 C Shift Assignments>> CB :: 39.411 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.422 HA :: 4.730 HB2 :: 2.899 HB3 :: 2.620 HD21 :: 7.475 HD22 :: 6.815 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 :: 115.220 ND2 :: 112.678 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.752 HA2 :: 3.968 HA3 :: 3.772 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.815 Ave N Shift Values>> N :: 109.67(3.87) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.33 E 0.21 Q 0.05 C Shift Assignments>> CA :: 54.102 CB :: 31.969 CG :: 35.750 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 :: 8.174 HA :: 4.421 HB2 :: 1.800 HB3 :: 1.583 HG2 :: 2.049 HG3 :: 2.049 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.601 Ave N Shift Values>> N :: 120.67(3.48) 1.T161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 V 0.04 HN Overlap>> 1.A94 1.A94 C Shift Assignments>> CB :: 69.624 CG2 :: 21.173 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 :: 8.714 HA :: 4.341 HB :: 3.925 HG21 :: 1.252 HG22 :: 1.252 HG23 :: 1.252 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 :: 120.600 Ave N Shift Values>> N :: 115.42(4.75) 1.P162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> CA :: 61.790 CB :: 31.178 CD :: 50.609 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 :: 4.277 HB2 :: 1.507 HB3 :: 1.507 HD2 :: 3.115 HD3 :: 3.755 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.Q163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.22 C 0.17 K 0.17 H 0.05 R 0.05 W 0.03 E 0.02 C Shift Assignments>> CA :: 54.977 CG :: 33.731 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 :: 8.507 HA :: 4.290 HB2 :: 2.023 HB3 :: 1.963 HG2 :: 2.328 HG3 :: 2.328 HE21 :: 7.488 HE22 :: 6.888 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.915 NE2 :: 113.170 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.03 L 0.03 C 0.03 C Shift Assignments>> CA :: 52.423 CB :: 20.313 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.350 HA :: 4.428 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.533 Ave N Shift Values>> N :: 123.23(3.54) 1.G165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.637 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.999 HA2 :: 3.860 HA3 :: 4.189 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.327 Ave N Shift Values>> N :: 109.67(3.87) 1.P166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.7 P 0.28 C Shift Assignments>> CA :: 63.233 CB :: 34.367 CD :: 49.285 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 :: 4.538 HB2 :: 1.890 HB3 :: 1.947 HD2 :: 3.457 HD3 :: 3.621 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.V167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> CA :: 61.891 CB :: 33.033 CG1 :: 20.784 CG2 :: 21.186 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 :: 8.210 HA :: 3.836 HB :: 1.769 HG11 :: 0.713 HG12 :: 0.713 HG13 :: 0.713 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.370 Ave N Shift Values>> N :: 121.14(4.54) 1.G168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.118 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.104 HA2 :: 3.735 HA3 :: 3.735 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.732 Ave N Shift Values>> N :: 109.67(3.87) 1.I169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> CA :: 60.973 CB :: 38.512 CG1 :: 26.712 CG2 :: 17.346 CD1 :: 13.252 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.433 HA :: 3.767 HB :: 1.582 HG12 :: 0.774 HG13 :: 1.077 HG21 :: 0.634 HG22 :: 0.634 HG23 :: 0.634 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 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 :: 118.646 Ave N Shift Values>> N :: 121.46(4.28) 1.E170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.1 Q 0.09 M 0.06 I 0.03 C Shift Assignments>> CA :: 56.631 CB :: 29.840 CG :: 35.971 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 :: 8.165 HA :: 3.797 HB2 :: 1.692 HB3 :: 1.790 HG2 :: 2.000 HG3 :: 2.000 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 :: 123.982 Ave N Shift Values>> N :: 120.67(3.48) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.11 Q 0.05 K 0.05 I 0.02 HN Overlap>> 1.I175 1.L90 1.I175 1.L90 C Shift Assignments>> CA :: 56.326 CB :: 30.343 CG :: 36.256 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 :: 8.019 HA :: 4.038 HB2 :: 1.776 HB3 :: 1.924 HG2 :: 2.088 HG3 :: 2.088 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 :: 120.341 Ave N Shift Values>> N :: 120.67(3.48) 1.D172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.13 F 0.09 K 0.07 Y 0.07 C 0.05 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> CA :: 54.123 CB :: 40.951 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 :: 8.137 HA :: 4.554 HB2 :: 2.517 HB3 :: 2.653 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 :: 120.462 Ave N Shift Values>> N :: 120.65(3.86) 1.N173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.27 L 0.08 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> CA :: 53.117 CB :: 39.620 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 :: 8.140 HA :: 4.684 HB2 :: 2.634 HB3 :: 2.717 HD21 :: 6.812 HD22 :: 7.477 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 :: 119.022 ND2 :: 113.312 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.11 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.D180 1.D180 C Shift Assignments>> CA :: 54.055 CB :: 41.136 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 :: 8.392 HA :: 4.625 HB2 :: 2.554 HB3 :: 2.654 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 :: 120.952 Ave N Shift Values>> N :: 120.65(3.86) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 1.K157 1.K157 1.E171 1.E171 C Shift Assignments>> CA :: 60.852 CB :: 38.790 CG1 :: 27.099 CG2 :: 17.395 CD1 :: 13.159 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 :: 7.981 HA :: 4.011 HB :: 1.635 HG12 :: 0.940 HG13 :: 1.283 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.253 Ave N Shift Values>> N :: 121.46(4.28) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.11 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> CA :: 56.462 CB :: 30.410 CG :: 36.225 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 :: 8.310 HA :: 4.226 HB2 :: 1.867 HB3 :: 1.971 HG2 :: 2.195 HG3 :: 2.195 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 :: 124.792 Ave N Shift Values>> N :: 120.67(3.48) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.1 Q 0.08 K 0.07 I 0.02 C Shift Assignments>> CA :: 56.586 CB :: 30.210 CG :: 35.982 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 :: 8.411 HA :: 4.219 HB2 :: 1.869 HB3 :: 1.973 HG2 :: 2.193 HG3 :: 2.193 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 :: 122.343 Ave N Shift Values>> N :: 120.67(3.48) 1.N178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.23 C 0.08 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> CA :: 53.126 CB :: 39.275 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 :: 8.459 HA :: 4.665 HB2 :: 2.670 HB3 :: 2.731 HD21 :: 6.866 HD22 :: 7.579 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.046 ND2 :: 112.783 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.09 Q 0.06 K 0.06 I 0.03 C Shift Assignments>> CA :: 56.977 CB :: 30.271 CG :: 36.138 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 :: 8.502 HA :: 4.195 HB2 :: 1.880 HB3 :: 1.989 HG2 :: 2.197 HG3 :: 2.197 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 :: 121.956 Ave N Shift Values>> N :: 120.67(3.48) 1.D180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.18 L 0.14 Y 0.13 K 0.08 I 0.07 N 0.05 C 0.04 HN Overlap>> 1.D174 1.D174 C Shift Assignments>> CB :: 41.000 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 :: 8.304 HA :: 4.475 HB2 :: 2.520 HB3 :: 2.639 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 :: 120.953 Ave N Shift Values>> N :: 120.65(3.86) 1.A181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> CA :: 52.742 CB :: 18.844 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.006 HA :: 3.970 HB1 :: 1.179 HB2 :: 1.179 HB3 :: 1.179 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.298 Ave N Shift Values>> N :: 123.23(3.54) 1.G182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.977 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.112 HA2 :: 3.562 HA3 :: 3.724 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.168 Ave N Shift Values>> N :: 109.67(3.87) 1.A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.09 C 0.03 L 0.03 C Shift Assignments>> CA :: 53.582 CB :: 19.911 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.465 HA :: 3.998 HB1 :: 1.241 HB2 :: 1.241 HB3 :: 1.241 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.407 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 177 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 182 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 183 #Suspicious: 0 C Shift Results: #Consistent: 521 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1152 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 185 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P11 HD2 = 2.468(S), Expected = 3.65, Std = 0.3500, ChiSquare = 7.3243e-04 1.F14 CD2 = 127.304(S), Expected = 131.63, Std = 1.1200, ChiSquare = 1.1223e-04 1.G46 HA3 = 2.618(S), Expected = 3.90, Std = 0.3700, ChiSquare = 5.3050e-04 1.A101 HB1 = 0.129(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.6511e-06 1.A101 HB2 = 0.129(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.6511e-06 1.A101 HB3 = 0.129(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.6511e-06 1.F131 HZ = 5.410(S), Expected = 7.00, Std = 0.4200, ChiSquare = 1.5327e-04 1.K148 HB2 = 0.704(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.6774e-05 1.K148 HB3 = 0.482(S), Expected = 1.74, Std = 0.2700, ChiSquare = 3.1735e-06