Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 177.695 CA :: 52.678 CB :: 19.280 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.385 HA :: 4.344 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.999 Ave N Shift Values>> N :: 123.23(3.7) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 E 0.12 M 0.11 R 0.03 C Shift Assignments>> C :: 175.696 CA :: 55.814 CB :: 29.739 CG :: 33.851 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.306 HA :: 4.363 HB2 :: 2.151 HB3 :: 2.038 HG2 :: 2.407 HG3 :: 2.407 HE21 :: 7.623 HE22 :: 6.897 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.832 NE2 :: 112.715 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.03 L 0.01 C Shift Assignments>> C :: 177.119 CA :: 52.607 CB :: 19.719 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.361 HA :: 4.400 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.721 Ave N Shift Values>> N :: 123.23(3.7) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.07 F 0.06 R 0.05 Y 0.05 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 176.179 CA :: 54.059 CB :: 41.577 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.377 HA :: 4.723 HB2 :: 2.737 HB3 :: 2.669 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.364 Ave N Shift Values>> N :: 120.73(4.2) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.427 CA :: 45.490 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.160 HA2 :: 3.899 HA3 :: 4.323 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.100 Ave N Shift Values>> N :: 109.91(4.29) 1.I9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 175.344 CA :: 63.729 CB :: 38.692 CG1 :: 29.264 CG2 :: 15.445 CD1 :: 13.828 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.604 HA :: 3.604 HB :: 1.056 HG12 :: 1.743 HG13 :: 0.528 HG21 :: -0.220(S) HG22 :: -0.220(S) HG23 :: -0.220(S) HD11 :: -0.370(S) HD12 :: -0.370(S) HD13 :: -0.370(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.515 Ave N Shift Values>> N :: 121.6(4.72) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 176.343 CA :: 50.321 CB :: 16.933 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.646 HA :: 4.547 HB1 :: 1.289 HB2 :: 1.289 HB3 :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.985 Ave N Shift Values>> N :: 123.23(3.7) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.946 CA :: 59.767 CB :: 39.486 CD1 :: 132.742 CD2 :: 132.742 CE1 :: 131.631 CE2 :: 131.631 CZ :: 129.209 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.231 HA :: 4.440 HB2 :: 3.225 HB3 :: 2.866 HD1 :: 7.061 HD2 :: 7.061 HE1 :: 7.232 HE2 :: 7.232 HZ :: 7.367 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.487 Ave N Shift Values>> N :: 120.69(4.18) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.38 G 0.15 K 0.06 C Shift Assignments>> C :: 176.417 CA :: 55.251 CB :: 32.130 CG :: 26.929 CD :: 43.880 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.165 HA :: 4.624 HB2 :: 1.813 HB3 :: 1.788 HG2 :: 2.019 HG3 :: 1.966 HD2 :: 3.416 HD3 :: 2.957 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.011 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 E 0.28 K 0.14 Q 0.07 I 0.04 C Shift Assignments>> C :: 174.930 CA :: 55.280 CB :: 28.005 CG :: 36.131 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.629 HB2 :: 2.129 HB3 :: 1.958 HG2 :: 2.314 HG3 :: 2.272 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.17 G 0.17 L 0.03 C Shift Assignments>> C :: 176.076 CA :: 52.873 CB :: 48.003 CD1 :: 23.267 CD2 :: 26.408 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.136 HA :: 4.832 HB2 :: 1.708 HB3 :: 1.382 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.656 Ave N Shift Values>> N :: 121.98(4.07) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.541 CA :: 57.387 CB :: 64.663 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.412 HA :: 4.801 HB2 :: 4.486 HB3 :: 4.094 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.109 Ave N Shift Values>> N :: 116.3(3.95) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 173.972 CA :: 64.060 CB :: 37.049 CD1 :: 131.843 CD2 :: 131.843 CE1 :: 131.199 CE2 :: 131.199 CZ :: 129.984 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.640 HA :: 4.282 HB2 :: 3.437 HB3 :: 2.917 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 7.230 HE2 :: 7.230 HZ :: 7.465 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.518 Ave N Shift Values>> N :: 120.69(4.18) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 180.985 CA :: 66.069 CB :: 31.167 CG :: 28.819 CD :: 50.168 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.152 HB2 :: 2.413 HB3 :: 1.900 HG2 :: 2.262 HG3 :: 2.160 HD2 :: 4.288 HD3 :: 4.126 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.16 M 0.05 K 0.02 C Shift Assignments>> C :: 179.315 CA :: 58.836 CB :: 30.709 CG :: 37.101 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.194 HA :: 4.082 HB2 :: 2.304 HB3 :: 2.076 HG2 :: 2.394 HG3 :: 2.394 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.417 Ave N Shift Values>> N :: 120.68(3.68) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.34 C 0.05 V 0.02 L 0.02 I 0.02 T 0.01 C Shift Assignments>> C :: 179.088 CA :: 55.424 CB :: 19.611 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.858 HA :: 3.898 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.566 Ave N Shift Values>> N :: 123.23(3.7) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.33 K 0.12 C Shift Assignments>> C :: 179.542 CA :: 58.036 CB :: 41.739 CD1 :: 25.554 CD2 :: 24.203 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.159 HA :: 3.815 HB2 :: 1.512 HB3 :: 1.409 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.678 HD22 :: 0.678 HD23 :: 0.678 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.951 Ave N Shift Values>> N :: 121.98(4.07) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.24 M 0.01 C Shift Assignments>> C :: 179.409 CA :: 58.428 CB :: 31.604 CG :: 24.742 CD :: 28.441 CE :: 41.789 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.276 HA :: 4.260 HB2 :: 2.013 HB3 :: 1.950 HG2 :: 1.569 HG3 :: 1.569 HD2 :: 1.795 HD3 :: 1.755 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.891 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 L 0.28 C 0.26 R 0.05 C Shift Assignments>> C :: 177.861 CA :: 56.953 CB :: 28.295 CG :: 24.648 CD :: 41.397 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.018 HA :: 4.078 HB2 :: 2.132 HB3 :: 1.970 HG2 :: 1.986 HG3 :: 1.755 HD2 :: 3.276 HD3 :: 3.128 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.812 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.12 I 0.1 C 0.02 C Shift Assignments>> C :: 179.295 CA :: 56.226 CB :: 16.811 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.351 HA :: 3.873 HB1 :: 1.576 HB2 :: 1.576 HB3 :: 1.576 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.068 Ave N Shift Values>> N :: 123.23(3.7) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.14 K 0.05 M 0.05 Q 0.03 C Shift Assignments>> C :: 179.649 CA :: 59.522 CB :: 30.292 CG :: 36.025 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.639 HA :: 4.160 HB2 :: 2.541 HB3 :: 2.541 HG2 :: 2.340 HG3 :: 2.216 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.192 Ave N Shift Values>> N :: 120.68(3.68) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.299 CA :: 65.935 CB :: 32.703 CG1 :: 22.225 CG2 :: 21.158 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.296 HA :: 3.823 HB :: 2.148 HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.728 Ave N Shift Values>> N :: 121.02(4.96) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.39 I 0.1 M 0.04 K 0.04 C Shift Assignments>> C :: 175.460 CA :: 56.919 CB :: 29.905 CG :: 37.200 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.680 HA :: 4.148 HB2 :: 2.294 HB3 :: 2.107 HG2 :: 2.292 HG3 :: 2.292 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.920 Ave N Shift Values>> N :: 120.68(3.68) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 D 0.2 C 0.17 Y 0.15 F 0.13 L 0.06 I 0.01 E 0.01 C Shift Assignments>> C :: 174.404 CA :: 54.941 CB :: 39.233 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.817 HA :: 4.484 HB2 :: 3.305 HB3 :: 2.492 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.252 Ave N Shift Values>> N :: 120.73(4.2) 1.K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.44 G 0.02 C Shift Assignments>> C :: 176.515 CA :: 55.358 CB :: 40.195(S) CG :: 26.270 CD :: 29.632 CE :: 42.280 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.441 HA :: 4.802 HB2 :: 2.452 HB3 :: 1.204 HG2 :: 1.386 HG3 :: 1.182 HD2 :: 1.417 HD3 :: 1.092 HE2 :: 2.818 HE3 :: 2.818 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.504 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.24 R 0.19 G 0.07 A 0.02 C Shift Assignments>> C :: 175.942 CA :: 54.610 CB :: 43.219 CG :: 27.330 CD1 :: 26.930 CD2 :: 23.338 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.242 HA :: 4.700 HB2 :: 2.126 HB3 :: 1.447 HG :: 1.977 HD11 :: 1.026 HD12 :: 1.026 HD13 :: 1.026 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.140 Ave N Shift Values>> N :: 121.98(4.07) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 C 0.29 R 0.23 L 0.16 C Shift Assignments>> C :: 175.109 CA :: 54.070 CB :: 44.159 CG :: 27.481 CD1 :: 25.587 CD2 :: 28.027 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.309 HA :: 4.965 HB2 :: 1.844 HB3 :: 1.058 HG :: 1.324 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.496 HD22 :: 0.496 HD23 :: 0.496 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.968 Ave N Shift Values>> N :: 121.98(4.07) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 F 0.19 C Shift Assignments>> C :: 173.174 CA :: 54.102 CB :: 39.468 CD1 :: 133.964 CD2 :: 133.964 CE1 :: 129.362 CE2 :: 129.362 CZ :: 127.971 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.153 HA :: 5.216 HB2 :: 3.254 HB3 :: 2.458 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.860 HE2 :: 6.860 HZ :: 7.149 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 128.227 Ave N Shift Values>> N :: 120.69(4.18) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 174.139 CA :: 59.777 CB :: 34.075 CG1 :: 23.264 CG2 :: 21.875 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.674 HA :: 4.434 HB :: 1.676 HG11 :: 0.664 HG12 :: 0.664 HG13 :: 0.664 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.405 Ave N Shift Values>> N :: 121.02(4.96) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 L 0.16 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.065 CA :: 52.890 CB :: 41.033 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.231 HA :: 4.685 HB2 :: 2.661 HB3 :: 2.661 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.084 Ave N Shift Values>> N :: 120.73(4.2) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.14 R 0.13 C 0.13 W 0.12 K 0.11 Q 0.1 E 0.09 H 0.08 L 0.03 C Shift Assignments>> C :: 174.134 CA :: 59.117 CB :: 28.066 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.520 HA :: 5.014 HB2 :: 3.739 HB3 :: 2.896 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.416 Ave N Shift Values>> N :: 119.95(4.79) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 F 0.28 C 0.23 C Shift Assignments>> C :: 172.874 CA :: 54.844 CB :: 44.343 CD1 :: 132.200 CD2 :: 132.200 CE1 :: 130.964 CE2 :: 130.964 CZ :: 130.063 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.317 HA :: 5.471 HB2 :: 3.006 HB3 :: 3.006 HD1 :: 6.846 HD2 :: 6.846 HE1 :: 6.922 HE2 :: 6.922 HZ :: 7.222 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.848 Ave N Shift Values>> N :: 120.69(4.18) 1.T36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.55 C 0.41 A 0.03 C Shift Assignments>> C :: 176.508 CA :: 58.641 CB :: 72.555 CG2 :: 21.187 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.718 HA :: 4.154 HB :: 3.285 HG21 :: -0.098(S) HG22 :: -0.098(S) HG23 :: -0.098(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.351 Ave N Shift Values>> N :: 115.7(5.05) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.988 CA :: 64.350 CB :: 69.323 CG2 :: 22.107 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.677 HA :: 4.015 HB :: 4.391 HG21 :: 1.439 HG22 :: 1.439 HG23 :: 1.439 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.346 Ave N Shift Values>> N :: 115.7(5.05) 1.W38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 H 0.25 W 0.08 C Shift Assignments>> C :: 176.280 CA :: 53.764 CB :: 29.940 CD1 :: 129.234 CE3 :: 121.818 CZ2 :: 115.067 CZ3 :: 125.418 CH2 :: 122.198 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 6.590 HA :: 4.753 HB2 :: 3.654 HB3 :: 3.168 HD1 :: 7.337 HE1 :: 11.759 HE3 :: 7.437 HZ2 :: 7.620 HZ3 :: 7.507 HH2 :: 7.335 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.396 NE1 :: 135.063 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.23 R 0.16 C 0.14 W 0.09 Q 0.07 K 0.07 L 0.05 E 0.05 H 0.05 P 0.02 C Shift Assignments>> C :: 176.286 CA :: 59.640 CB :: 27.178 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.156(S) HA :: 4.405 HB2 :: 2.239 HB3 :: 1.716 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.159 Ave N Shift Values>> N :: 119.95(4.79) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 A 0.12 C 0.08 N 0.06 G 0.03 D 0.02 C Shift Assignments>> CA :: 48.980 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.957 HA3 :: 4.299 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 178.519 CA :: 65.958 CB :: 32.665 CG :: 28.025 CD :: 51.671 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.313 HB2 :: 2.447 HB3 :: 1.853 HG2 :: 2.317 HG3 :: 2.056 HD2 :: 4.776(A) HD3 :: 3.734 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.4 C 0.06 V 0.04 W 0.02 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 177.068 CA :: 64.369 CB :: 28.234 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.052 HA :: 4.018 HB2 :: 3.381 HB3 :: 3.151 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.649 Ave N Shift Values>> N :: 119.95(4.79) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.21 M 0.02 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> C :: 178.441 CA :: 59.188 CB :: 32.120 CG :: 25.477 CD :: 29.589 CE :: 41.984 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.718 HA :: 4.050 HB2 :: 2.027 HB3 :: 1.876 HG2 :: 1.559 HG3 :: 1.398 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.963 HE3 :: 2.963 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.987 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 L 0.01 C Shift Assignments>> C :: 179.407 CA :: 59.412 CB :: 29.656 CG :: 27.843 CD :: 43.331 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.570 HA :: 4.074 HB2 :: 1.917 HB3 :: 1.831 HG2 :: 1.665 HG3 :: 1.527 HD2 :: 3.222 HD3 :: 3.150 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.616 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 R 0.03 C Shift Assignments>> C :: 177.090 CA :: 58.137 CB :: 40.934 CG :: 26.433 CD1 :: 26.516 CD2 :: 24.568 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.678 HA :: 3.684 HB2 :: 1.586 HB3 :: 0.638 HG :: 1.342 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.941 Ave N Shift Values>> N :: 121.98(4.07) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.295 CA :: 61.632 CB :: 63.156 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.574 HA :: 4.100 HB2 :: 3.870 HB3 :: 3.782 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.296 Ave N Shift Values>> N :: 116.3(3.95) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.19 M 0.01 C Shift Assignments>> C :: 176.860 CA :: 57.776 CB :: 33.740 CG :: 25.521 CD :: 28.913 CE :: 41.883 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.296 HA :: 4.255 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 1.585 HG3 :: 1.436 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.961 HE3 :: 2.961 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.121 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.969 CA :: 64.502 CB :: 34.039 CG1 :: 21.667 CG2 :: 21.042 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.742 HA :: 4.205 HB :: 2.318 HG11 :: 0.973 HG12 :: 0.973 HG13 :: 0.973 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.752 Ave N Shift Values>> N :: 121.02(4.96) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C 0.01 C Shift Assignments>> C :: 178.106 CA :: 68.247 CB :: 31.822 CG1 :: 22.152 CG2 :: 21.912 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.555 HA :: 3.699 HB :: 2.156 HG11 :: 1.199 HG12 :: 1.199 HG13 :: 1.199 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.587 Ave N Shift Values>> N :: 121.02(4.96) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 F 0.33 C Shift Assignments>> C :: 174.983 CA :: 54.665 CB :: 36.836 CD1 :: 129.797 CD2 :: 129.797 CE1 :: 131.144 CE2 :: 131.144 CZ :: 129.614 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.994 HA :: 4.596 HB2 :: 3.461 HB3 :: 3.461 HD1 :: 7.066 HD2 :: 7.066 HE1 :: 7.263 HE2 :: 7.263 HZ :: 6.841 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.970 Ave N Shift Values>> N :: 120.69(4.18) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.3 R 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 176.551 CA :: 54.809 CB :: 32.346 CG :: 25.133 CD :: 28.482 CE :: 42.230 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.851 HA :: 4.359 HB2 :: 2.084 HB3 :: 1.694 HG2 :: 1.503 HG3 :: 1.303 HD2 :: 1.693 HD3 :: 1.661 HE2 :: 3.124 HE3 :: 2.949 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.051 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.23 G 0.19 C 0.13 D 0.05 F 0.03 Y 0.02 K 0.02 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 177.432 CA :: 55.187 CB :: 44.140 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.582 HA :: 4.523 HB2 :: 3.010 HB3 :: 2.800 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.420 Ave N Shift Values>> N :: 120.73(4.2) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.265 CA :: 62.330 CB :: 63.247 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.901 HA :: 4.111 HB2 :: 3.996 HB3 :: 3.955 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.231 Ave N Shift Values>> N :: 116.3(3.95) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.39 R 0.07 C Shift Assignments>> C :: 180.801 CA :: 58.180 CB :: 41.319 CG :: 27.706 CD1 :: 25.235 CD2 :: 23.484 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.084 HA :: 4.318 HB2 :: 2.041 HB3 :: 1.463 HG :: 1.785 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.932 Ave N Shift Values>> N :: 121.98(4.07) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.493 CA :: 66.750 CB :: 32.671 CG1 :: 24.740 CG2 :: 22.323 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.262 HA :: 3.769 HB :: 2.436 HG11 :: 1.192 HG12 :: 1.192 HG13 :: 1.192 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.016 Ave N Shift Values>> N :: 121.02(4.96) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.22 I 0.07 C 0.03 C Shift Assignments>> C :: 178.718 CA :: 55.892 CB :: 17.749 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.932 HA :: 3.759 HB1 :: 1.245 HB2 :: 1.245 HB3 :: 1.245 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.623 Ave N Shift Values>> N :: 123.23(3.7) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.16 L 0.15 F 0.13 C 0.12 Y 0.1 D 0.05 I 0.02 C Shift Assignments>> C :: 178.131 CA :: 57.790 CB :: 42.172 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.019 HA :: 4.356 HB2 :: 2.953 HB3 :: 2.694 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.211 Ave N Shift Values>> N :: 120.73(4.2) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 178.703 CA :: 62.804 CB :: 39.495 CD1 :: 132.893 CD2 :: 132.893 CE1 :: 118.258 CE2 :: 118.258 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.682 HA :: 4.105 HB2 :: 3.364 HB3 :: 3.244 HD1 :: 6.894 HD2 :: 6.894 HE1 :: 6.338 HE2 :: 6.338 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.139 Ave N Shift Values>> N :: 120.79(4.69) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 F 0.41 C Shift Assignments>> C :: 179.415 CA :: 61.049 CB :: 38.436 CD1 :: 133.593 CD2 :: 133.593 CE1 :: 130.186 CE2 :: 130.186 CZ :: 128.183 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.313 HA :: 4.288 HB2 :: 3.147 HB3 :: 3.056 HD1 :: 7.650 HD2 :: 7.650 HE1 :: 6.090 HE2 :: 6.090 HZ :: 6.947 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.031 Ave N Shift Values>> N :: 120.69(4.18) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.17 E 0.15 Y 0.15 F 0.08 M 0.04 D 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 178.251 CA :: 55.265 CB :: 37.301 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.985 HA :: 4.565 HB2 :: 3.035 HB3 :: 2.760 HD21 :: 7.435 HD22 :: 6.695 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.596 ND2 :: 108.449 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.18 G 0.04 C Shift Assignments>> C :: 177.673 CA :: 58.137 CB :: 30.936 CG :: 27.766 CD :: 43.094 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.378 HA :: 4.112 HB2 :: 1.547 HB3 :: 1.260 HG2 :: 1.311 HG3 :: 0.979 HD2 :: 2.967 HD3 :: 2.930 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.818 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.38 H 0.31 C 0.3 C Shift Assignments>> C :: 174.825 CA :: 58.538 CB :: 29.961 CD2 :: 122.359 CE1 :: 137.129 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.043 HA :: 4.242 HB2 :: 1.171(S) HB3 :: 1.985 HD2 :: 5.837 HE1 :: 7.722 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 112.785 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.46 G 0.01 C Shift Assignments>> C :: 177.496 CA :: 54.881 CB :: 41.690 CD1 :: 133.033 CD2 :: 133.033 CE1 :: 129.671 CE2 :: 129.671 CZ :: 130.003 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.717 HA :: 6.048 HB2 :: 3.467 HB3 :: 3.274 HD1 :: 7.268 HD2 :: 7.268 HE1 :: 6.709 HE2 :: 6.709 HZ :: 6.401 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.172 Ave N Shift Values>> N :: 120.69(4.18) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 174.101 CA :: 63.256 CB :: 32.373 CG1 :: 20.427 CG2 :: 20.238 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.744 HA :: 3.892 HB :: 2.020 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.124 Ave N Shift Values>> N :: 121.02(4.96) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.18 K 0.14 F 0.12 C 0.12 Y 0.1 N 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 172.909 CA :: 55.518 CB :: 41.019 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.896 HA :: 5.538 HB2 :: 2.677 HB3 :: 2.032 HD21 :: 6.676 HD22 :: 6.216 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.183 ND2 :: 111.040 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 L 0.04 G 0.04 A 0.01 C Shift Assignments>> C :: 173.938 CA :: 53.992 CB :: 48.614(S) CG :: 27.728 CD1 :: 24.712 CD2 :: 25.698 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.809 HA :: 5.106 HB2 :: 1.905 HB3 :: 1.409 HG :: 1.738 HD11 :: 1.108 HD12 :: 1.108 HD13 :: 1.108 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.866 Ave N Shift Values>> N :: 121.98(4.07) 1.K67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.07 M 0.02 C Shift Assignments>> C :: 175.566 CA :: 54.830 CB :: 34.536 CG :: 24.290 CD :: 29.096 CE :: 41.490 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.840 HA :: 4.825 HB2 :: 1.235 HB3 :: 1.235 HG2 :: 0.909 HG3 :: 0.909 HD2 :: 0.851 HD3 :: 0.840 HE2 :: 2.266(S) HE3 :: 2.266(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.35 A 0.27 C Shift Assignments>> C :: 171.544 CA :: 53.991 CB :: 35.748 CG :: 32.627 CE :: 16.723 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.035 HA :: 4.800 HB2 :: 1.798 HB3 :: 1.497 HG2 :: 2.231 HG3 :: 2.225 HE1 :: 2.102 HE2 :: 2.102 HE3 :: 2.102 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.908 Ave N Shift Values>> N :: 120.1(3.88) 1.D69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.33 N 0.29 C 0.12 L 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 178.487 CA :: 52.176 CB :: 40.544 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.032 HA :: 3.162(S) HB2 :: 2.636 HB3 :: 2.063 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.419 Ave N Shift Values>> N :: 120.73(4.2) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 A 0.29 M 0.24 C Shift Assignments>> C :: 175.626 CA :: 55.158 CB :: 34.347 CG :: 34.359 CE :: 19.952 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.251 HA :: 4.159 HB2 :: 1.573 HB3 :: 2.079 HG2 :: 2.651 HG3 :: 2.651 HE1 :: 2.036 HE2 :: 2.036 HE3 :: 2.036 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.380 Ave N Shift Values>> N :: 120.1(3.88) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.35 M 0.14 I 0.02 K 0.02 C Shift Assignments>> C :: 176.044 CA :: 54.905 CB :: 31.039 CG :: 37.168 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.690 HA :: 4.324 HB2 :: 2.302 HB3 :: 1.821 HG2 :: 2.171 HG3 :: 2.064 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.225 Ave N Shift Values>> N :: 120.68(3.68) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.22 R 0.21 M 0.01 C Shift Assignments>> C :: 175.929 CA :: 55.073 CB :: 37.161 CG :: 24.741 CD :: 29.309 CE :: 41.810 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.398 HA :: 4.709 HB2 :: 1.840 HB3 :: 1.566 HG2 :: 1.308 HG3 :: 1.308 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 3.051 HE3 :: 3.027 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.808 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.696 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.050 HA3 :: 3.854 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.37 C 0.36 I 0.15 M 0.04 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.615 CA :: 58.519 CB :: 30.141 CG :: 36.792 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.260 HB2 :: 2.258 HB3 :: 2.085 HG2 :: 2.412 HG3 :: 2.412 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.25 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.812 CA :: 47.547 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.659 HA2 :: 4.576 HA3 :: 3.588 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.995 Ave N Shift Values>> N :: 109.91(4.29) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.737 CA :: 65.957 CB :: 32.037 CG1 :: 20.958 CG2 :: 21.716 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.949 HA :: 3.637 HB :: 2.036 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.449 Ave N Shift Values>> N :: 121.02(4.96) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.17 K 0.08 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.909 CA :: 58.535 CB :: 29.185 CG :: 36.507 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.283 HA :: 4.158 HB2 :: 2.119 HB3 :: 1.970 HG2 :: 2.327 HG3 :: 2.327 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.749 Ave N Shift Values>> N :: 120.68(3.68) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.36 R 0.16 G 0.01 C Shift Assignments>> C :: 178.392 CA :: 58.501 CB :: 42.110 CG :: 27.703 CD1 :: 25.523 CD2 :: 23.208 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.875 HA :: 3.909 HB2 :: 1.678 HB3 :: 1.264 HG :: 1.579 HD11 :: 0.377 HD12 :: 0.377 HD13 :: 0.377 HD21 :: 0.317 HD22 :: 0.317 HD23 :: 0.317 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.792 Ave N Shift Values>> N :: 121.98(4.07) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.19 K 0.02 HN Overlap>> 1.V116 1.V116 C Shift Assignments>> C :: 178.879 CA :: 59.988 CB :: 29.930 CG :: 27.159 CD :: 43.939 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.534 HA :: 3.723 HB2 :: 2.481 HB3 :: 2.159 HG2 :: 1.912 HG3 :: 1.713 HD2 :: 3.361 HD3 :: 3.354 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.117 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 C Shift Assignments>> C :: 179.160 CA :: 58.716 CB :: 33.031 CG :: 25.150 CD :: 29.582 CE :: 41.981 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.023 HA :: 4.145 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.471 HG3 :: 1.651 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.311 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.12 M 0.02 C Shift Assignments>> C :: 178.299 CA :: 59.252 CB :: 33.143 CG :: 24.343 CD :: 29.089 CE :: 41.853 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.203 HA :: 3.863 HB2 :: 1.713 HB3 :: 1.375 HG2 :: 0.949 HG3 :: 0.494 HD2 :: 1.433 HD3 :: 1.284 HE2 :: 2.879 HE3 :: 2.837 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.125 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 175.799 CA :: 57.938 CB :: 38.372 CD1 :: 132.579 CD2 :: 132.579 CE1 :: 117.869 CE2 :: 117.869 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.120 HA :: 4.811 HB2 :: 3.253 HB3 :: 2.454 HD1 :: 7.009 HD2 :: 7.009 HE1 :: 6.745 HE2 :: 6.745 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 111.991 Ave N Shift Values>> N :: 120.79(4.69) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.28 G 0.28 C 0.24 A 0.1 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 174.744 CA :: 48.191 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.449 HA2 :: 3.877 HA3 :: 3.748 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.908 Ave N Shift Values>> N :: 109.91(4.29) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 174.664 CA :: 62.791 CB :: 31.454 CG1 :: 21.631 CG2 :: 21.345 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.128 HA :: 3.967 HB :: 2.125 HG11 :: 0.973 HG12 :: 0.973 HG13 :: 0.973 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.679 Ave N Shift Values>> N :: 121.02(4.96) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.33 C 0.33 W 0.32 C Shift Assignments>> C :: 173.540 CA :: 55.168 CB :: 32.083 CD2 :: 120.205 CE1 :: 138.517 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.766 HB2 :: 3.169 HB3 :: 2.947 HD2 :: 6.898 HE1 :: 7.783 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.24 C 0.16 M 0.1 K 0.01 C Shift Assignments>> C :: 173.964 CA :: 50.438 CB :: 22.347 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.161 HA :: 4.116 HB1 :: 1.090 HB2 :: 1.090 HB3 :: 1.090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.250 Ave N Shift Values>> N :: 123.23(3.7) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 173.690 CA :: 53.813 CB :: 40.661 CD1 :: 133.173 CD2 :: 133.173 CE1 :: 118.408 CE2 :: 118.408 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.222 HA :: 4.921 HB2 :: 2.809 HB3 :: 2.798 HD1 :: 6.767 HD2 :: 6.767 HE1 :: 6.546 HE2 :: 6.546 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.525 Ave N Shift Values>> N :: 120.79(4.69) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 P 0.41 C Shift Assignments>> C :: 177.076 CA :: 63.338 CB :: 35.256 CG :: 25.641 CD :: 50.522 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.830 HB2 :: 3.092 HB3 :: 2.004 HG2 :: 1.839 HG3 :: 1.830 HD2 :: 3.567 HD3 :: 3.567 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 171.154 CA :: 64.034 CB :: 72.464 CG2 :: 21.871 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.148 HA :: 5.091 HB :: 3.965 HG1 :: 5.490 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.211 Ave N Shift Values>> N :: 115.7(5.05) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 L 0.2 K 0.07 G 0.01 C Shift Assignments>> C :: 174.818 CA :: 54.736 CB :: 42.153 CG :: 29.411 CD1 :: 25.968 CD2 :: 25.428 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.709 HA :: 5.236 HB2 :: 1.967 HB3 :: 2.316 HG :: 2.271 HD11 :: 1.366 HD12 :: 1.366 HD13 :: 1.366 HD21 :: 1.242 HD22 :: 1.242 HD23 :: 1.242 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.694 Ave N Shift Values>> N :: 121.98(4.07) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 C 0.2 A 0.02 C Shift Assignments>> C :: 174.755 CA :: 53.320 CB :: 45.940 CG :: 26.449 CD1 :: 23.706 CD2 :: 25.975 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.537 HA :: 4.853 HB2 :: 1.582 HB3 :: 1.106 HG :: 1.591 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.463 HD22 :: 0.463 HD23 :: 0.463 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.600 Ave N Shift Values>> N :: 121.98(4.07) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 175.309 CA :: 57.059 CB :: 39.722 CD1 :: 132.464 CD2 :: 132.464 CE1 :: 131.098 CE2 :: 131.098 CZ :: 130.542 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.324 HA :: 5.457 HB2 :: 3.102 HB3 :: 2.555 HD1 :: 6.687 HD2 :: 6.687 HE1 :: 6.479 HE2 :: 6.479 HZ :: 6.855 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.311 Ave N Shift Values>> N :: 120.69(4.18) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.42 G 0.08 C Shift Assignments>> C :: 174.831 CA :: 60.207 CB :: 42.949 CG1 :: 28.555 CG2 :: 17.480 CD1 :: 13.665 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.843 HA :: 4.992 HB :: 1.586 HG12 :: 1.395 HG13 :: 0.585 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 HD11 :: 0.486 HD12 :: 0.486 HD13 :: 0.486 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.697 Ave N Shift Values>> N :: 121.6(4.72) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.2 C 0.14 Y 0.04 F 0.03 L 0.03 C Shift Assignments>> C :: 177.278 CA :: 51.481 CB :: 39.160 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.813 HA :: 5.131 HB2 :: 3.622 HB3 :: 2.741 HD21 :: 7.709 HD22 :: 7.546 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.908 ND2 :: 112.781 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.026 CA :: 61.527 CB :: 62.856 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.888 HA :: 4.060 HB2 :: 4.220 HB3 :: 3.887 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.183 Ave N Shift Values>> N :: 116.3(3.95) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.999 CA :: 58.962 CB :: 63.580 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.736 HA :: 4.680 HB2 :: 4.076 HB3 :: 3.992 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.126 Ave N Shift Values>> N :: 116.3(3.95) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 175.020 CA :: 45.187 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.817 HA2 :: 4.474 HA3 :: 3.590 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.165 Ave N Shift Values>> N :: 109.91(4.29) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 M 0.16 K 0.07 Q 0.07 I 0.01 C Shift Assignments>> C :: 175.608 CA :: 55.172 CB :: 30.581 CG :: 35.934 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.985 HA :: 4.637 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.246 HG3 :: 2.246 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.595 Ave N Shift Values>> N :: 120.68(3.68) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.820 CA :: 63.829 CB :: 32.229 CG1 :: 24.219 CG2 :: 22.802 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.009 HA :: 4.031 HB :: 2.190 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.361 Ave N Shift Values>> N :: 121.02(4.96) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 175.816 CA :: 63.184 CB :: 33.196 CG1 :: 21.379 CG2 :: 21.170 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.559 HA :: 4.261 HB :: 2.052 HG11 :: 1.041 HG12 :: 1.041 HG13 :: 1.041 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.926 Ave N Shift Values>> N :: 121.02(4.96) 1.Y101 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>> C :: 171.407 CA :: 58.075 CB :: 41.286 CD1 :: 132.429 CD2 :: 132.429 CE1 :: 119.531 CE2 :: 119.531 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.989 HA :: 4.838 HB2 :: 3.244 HB3 :: 2.258 HD1 :: 6.691 HD2 :: 6.691 HE1 :: 6.709 HE2 :: 6.709 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.655 Ave N Shift Values>> N :: 120.79(4.69) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.25 R 0.08 K 0.07 C Shift Assignments>> C :: 172.324 CA :: 54.086 CB :: 35.015 CG :: 26.515 CD :: 43.744 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.027 HA :: 5.302 HB2 :: 1.628 HB3 :: 1.628 HG2 :: 1.354 HG3 :: 1.354 HD2 :: 3.261 HD3 :: 3.140 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.987 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.27 L 0.23 R 0.01 C Shift Assignments>> C :: 174.434 CA :: 54.134 CB :: 45.870 CG :: 27.682 CD1 :: 26.115 CD2 :: 25.301 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.884 HA :: 4.671 HB2 :: 1.932 HB3 :: 1.700 HG :: 1.722 HD11 :: 1.112 HD12 :: 1.112 HD13 :: 1.112 HD21 :: 1.152 HD22 :: 1.152 HD23 :: 1.152 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.913 Ave N Shift Values>> N :: 121.98(4.07) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.438 CA :: 61.544 CB :: 33.330 CG1 :: 20.893 CG2 :: 21.086 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.611 HA :: 4.764 HB :: 1.961 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.194 Ave N Shift Values>> N :: 121.02(4.96) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.628 CA :: 43.621 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.247 HA2 :: 4.533 HA3 :: 3.593 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.816 Ave N Shift Values>> N :: 109.91(4.29) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.15 C 0.04 L 0.02 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 176.362 CA :: 51.795 CB :: 20.284 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.269 HA :: 4.347 HB1 :: 1.300 HB2 :: 1.300 HB3 :: 1.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.356 Ave N Shift Values>> N :: 123.23(3.7) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.28 E 0.15 Q 0.01 C Shift Assignments>> C :: 175.040 CA :: 54.914 CB :: 33.286 CG :: 35.975 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.329 HA :: 4.538 HB2 :: 2.222 HB3 :: 1.595 HG2 :: 2.231 HG3 :: 2.231 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.152 Ave N Shift Values>> N :: 120.68(3.68) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.14 C 0.1 R 0.1 F 0.06 N 0.05 Y 0.04 C Shift Assignments>> C :: 176.394 CA :: 54.107 CB :: 42.041 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.554 HA :: 4.634 HB2 :: 2.853 HB3 :: 2.777 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.174 Ave N Shift Values>> N :: 120.73(4.2) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 I 0.24 A 0.05 C 0.03 C Shift Assignments>> C :: 174.735 CA :: 57.407 CB :: 16.979 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.016 HA :: 4.103 HB1 :: 1.632 HB2 :: 1.632 HB3 :: 1.632 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.985 Ave N Shift Values>> N :: 123.23(3.7) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 180.460 CA :: 66.077 CB :: 30.845 CG :: 28.569 CD :: 49.800 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.287 HB2 :: 2.323 HB3 :: 1.936 HG2 :: 2.205 HG3 :: 2.033 HD2 :: 3.887 HD3 :: 3.751 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.16 K 0.05 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.177 CA :: 58.952 CB :: 30.123 CG :: 36.563 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.445 HA :: 4.116 HB2 :: 2.208 HB3 :: 2.042 HG2 :: 2.433 HG3 :: 2.433 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.216 Ave N Shift Values>> N :: 120.68(3.68) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.29 R 0.21 K 0.02 G 0.01 C Shift Assignments>> C :: 178.311 CA :: 59.264 CB :: 42.015 CG :: 27.523 CD1 :: 26.060 CD2 :: 26.503 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.689 HA :: 3.856 HB2 :: 1.616 HB3 :: 1.905 HG :: 1.583 HD11 :: 1.075 HD12 :: 1.075 HD13 :: 1.075 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.924 Ave N Shift Values>> N :: 121.98(4.07) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.36 R 0.11 HN Overlap>> 1.C42 1.C42 C Shift Assignments>> C :: 177.806 CA :: 57.976 CB :: 41.895 CG :: 27.653 CD1 :: 25.064 CD2 :: 24.009 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.125 HA :: 3.821 HB2 :: 1.630 HB3 :: 1.532 HG :: 1.638 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.685 HD22 :: 0.685 HD23 :: 0.685 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.606 Ave N Shift Values>> N :: 121.98(4.07) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.13 M 0.02 C Shift Assignments>> C :: 179.380 CA :: 59.762 CB :: 32.855 CG :: 24.794 CD :: 29.485 CE :: 41.941 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.427 HA :: 3.812 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.549 HG3 :: 1.319 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 2.944 HE3 :: 2.944 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.297 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.39 K 0.12 G 0.01 C Shift Assignments>> C :: 179.584 CA :: 60.387 CB :: 32.876 CG :: 27.470 CD :: 30.152 CE :: 42.181 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.093 HA :: 3.895 HB2 :: 2.240 HB3 :: 2.001 HG2 :: 1.444 HG3 :: 1.861 HD2 :: 1.751 HD3 :: 1.657 HE2 :: 3.061 HE3 :: 3.061 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V116 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.R79 1.R79 C Shift Assignments>> C :: 176.883 CA :: 66.867 CB :: 32.181 CG1 :: 24.507 CG2 :: 21.301 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.547 HA :: 3.233 HB :: 1.992 HG11 :: 1.196 HG12 :: 1.196 HG13 :: 1.196 HG21 :: 0.496 HG22 :: 0.496 HG23 :: 0.496 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.145 Ave N Shift Values>> N :: 121.02(4.96) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.15 M 0.01 C Shift Assignments>> C :: 179.148 CA :: 60.484 CB :: 32.494 CG :: 25.778 CD :: 29.565 CE :: 41.518 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.054 HA :: 3.641 HB2 :: 1.542 HB3 :: 1.542 HG2 :: 1.135 HG3 :: 0.953 HD2 :: 1.388 HD3 :: 1.384 HE2 :: 2.705 HE3 :: 2.521 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.933 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.07 G 0.01 C Shift Assignments>> C :: 179.553 CA :: 57.315 CB :: 42.186 CG :: 27.020 CD1 :: 24.817 CD2 :: 23.711 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.209 HA :: 3.986 HB2 :: 1.654 HB3 :: 1.476 HG :: 1.651 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.238 Ave N Shift Values>> N :: 121.98(4.07) 1.G119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 175.588 CA :: 45.493 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.736 HA2 :: 1.941(S) HA3 :: 3.341 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.078 Ave N Shift Values>> N :: 109.91(4.29) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.31 C Shift Assignments>> C :: 177.171 CA :: 62.282 CB :: 32.190 CG1 :: 19.302 CG2 :: 20.882 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.857 HA :: 4.225 HB :: 2.213 HG11 :: 0.714 HG12 :: 0.714 HG13 :: 0.714 HG21 :: 0.487 HG22 :: 0.487 HG23 :: 0.487 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.254 Ave N Shift Values>> N :: 121.02(4.96) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 I 0.14 K 0.06 M 0.02 Q 0.01 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 177.462 CA :: 57.609 CB :: 29.359 CG :: 36.906 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.670 HA :: 4.232 HB2 :: 2.059 HB3 :: 1.974 HG2 :: 2.060 HG3 :: 2.379 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.973 Ave N Shift Values>> N :: 120.68(3.68) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.903 CA :: 59.231 CB :: 63.799 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.970 HA :: 4.401 HB2 :: 3.925 HB3 :: 3.902 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.373 Ave N Shift Values>> N :: 116.3(3.95) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 K 0.08 I 0.05 Q 0.05 C Shift Assignments>> C :: 177.117 CA :: 56.991 CB :: 30.152 CG :: 36.164 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.248 HA :: 4.301 HB2 :: 2.156 HB3 :: 1.969 HG2 :: 2.339 HG3 :: 2.339 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.683 Ave N Shift Values>> N :: 120.68(3.68) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.246 CA :: 45.578 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.277 HA2 :: 3.919 HA3 :: 3.919 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.637 Ave N Shift Values>> N :: 109.91(4.29) 1.H125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 0 C Shift Results: #Consistent: 563 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 863 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 1 N Shift Results: #Consistent: 117 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I9 HG21 = -0.220(S), Expected = 0.80, Std = 0.2900, ChiSquare = 4.3606e-04 1.I9 HG22 = -0.220(S), Expected = 0.80, Std = 0.2900, ChiSquare = 4.3606e-04 1.I9 HG23 = -0.220(S), Expected = 0.80, Std = 0.2900, ChiSquare = 4.3606e-04 1.I9 HD11 = -0.370(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.6155e-04 1.I9 HD12 = -0.370(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.6155e-04 1.I9 HD13 = -0.370(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.6155e-04 1.K28 CB = 40.195(S), Expected = 32.83, Std = 1.8800, ChiSquare = 8.9452e-05 1.T36 HG21 = -0.098(S), Expected = 1.16, Std = 0.2800, ChiSquare = 7.0274e-06 1.T36 HG22 = -0.098(S), Expected = 1.16, Std = 0.2800, ChiSquare = 7.0274e-06 1.T36 HG23 = -0.098(S), Expected = 1.16, Std = 0.2800, ChiSquare = 7.0274e-06 1.C39 H = 6.156(S), Expected = 8.42, Std = 0.6600, ChiSquare = 6.0291e-04 1.P41 HD2 = 4.776(A), Expected = 3.64, Std = 0.3600, ChiSquare = 1.6019e-03 1.H62 HB2 = 1.171(S), Expected = 3.12, Std = 0.4300, ChiSquare = 5.8274e-06 1.L66 CB = 48.614(S), Expected = 42.37, Std = 1.8600, ChiSquare = 7.8796e-04 1.K67 HE2 = 2.266(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.0017e-04 1.K67 HE3 = 2.266(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.0017e-04 1.D69 HA = 3.162(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.9978e-06 1.G119 HA2 = 1.941(S), Expected = 3.95, Std = 0.4000, ChiSquare = 5.1003e-07