Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 1.392 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) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 175.415 CA :: 43.125 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.055 HA3 :: 4.205 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.23 A 0.13 HN Overlap>> 1.D134 1.D134 C Shift Assignments>> C :: 177.302 CA :: 54.303 CD1 :: 25.102 CD2 :: 22.306 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 :: 8.550 HA :: 4.738 HB2 :: 2.178 HB3 :: 2.271 HD11 :: 0.992 HD12 :: 0.992 HD13 :: 0.992 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 121.601 Ave N Shift Values>> N :: 121.98(4.07) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 W 0.09 C 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174.378 CA :: 58.672 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 :: 8.924 HA :: 3.840 HB2 :: 1.577 HB3 :: 1.577 HG2 :: 1.813 HG3 :: 1.813 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 :: 120.108 Ave N Shift Values>> N :: 120.68(3.68) 1.K5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.4 I 0.04 A 0.01 C Shift Assignments>> C :: 176.037 CA :: 55.276 CB :: 39.396(S) CG :: 23.859 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 :: 7.545 HA :: 5.271 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.580 HG3 :: 1.779 HE2 :: 3.030 HE3 :: 3.030 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 :: 115.923 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 A 0.32 T 0.16 C Shift Assignments>> C :: 174.186 CA :: 58.382 CB :: 72.067 CG2 :: 17.986 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 :: 8.543 HA :: 4.761 HB :: 4.390 HG1 :: 6.712 HG21 :: 1.326 HG22 :: 1.326 HG23 :: 1.326 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 :: 116.586 Ave N Shift Values>> N :: 115.7(5.05) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.17 A 0.02 I 0.01 C Shift Assignments>> C :: 176.546 CA :: 58.414 CB :: 34.154 CG1 :: 22.302 CG2 :: 18.233 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 :: 8.193 HA :: 5.411 HB :: 2.330 HG11 :: 0.810 HG12 :: 0.810 HG13 :: 0.810 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 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 :: 110.926 Ave N Shift Values>> N :: 121.02(4.96) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.38 R 0.18 M 0.02 C Shift Assignments>> C :: 175.548 CA :: 58.101 CB :: 33.884 CG :: 25.384 CD :: 29.690 CE :: 41.609 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 :: 8.592 HA :: 3.973 HB2 :: 1.802 HB3 :: 1.802 HG2 :: 1.391 HG3 :: 1.481 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.080 HE3 :: 3.080 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 :: 117.919 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.4 E 0.1 Q 0.06 C Shift Assignments>> C :: 173.214 CA :: 53.330 CB :: 32.703 CG :: 35.043 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 :: 7.502 HA :: 4.491 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 2.093 HG3 :: 2.093 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 :: 113.635 Ave N Shift Values>> N :: 120.68(3.68) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.09 M 0.05 C Shift Assignments>> C :: 176.812 CA :: 56.492 CB :: 32.821 CG :: 24.513 CD :: 29.453 CE :: 41.324 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 :: 8.080 HA :: 4.835 HB2 :: 1.437 HB3 :: 1.594 HG2 :: 1.320 HG3 :: 1.403 HD2 :: 1.708 HD3 :: 1.531 HE2 :: 2.981 HE3 :: 2.981 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 :: 116.868 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.22 L 0.16 A 0.02 C Shift Assignments>> C :: 175.353 CA :: 53.081 CB :: 45.915 CG :: 26.234 CD1 :: 27.304 CD2 :: 23.856 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 :: 7.975 HA :: 4.674 HB2 :: 1.560 HB3 :: 1.384 HG :: 1.875 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.792 HD22 :: 0.792 HD23 :: 0.792 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 :: 122.683 Ave N Shift Values>> N :: 121.98(4.07) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.821 CA :: 56.488 CB :: 65.815 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.102 HA :: 5.592 HB2 :: 3.646 HB3 :: 3.646 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 :: 115.533 Ave N Shift Values>> N :: 116.3(3.95) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.16 C 0.14 F 0.04 D 0.03 Y 0.03 K 0.02 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 174.086 CA :: 56.499 CB :: 44.100 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 :: 8.750 HA :: 4.906 HB2 :: 2.670 HB3 :: 3.122 HD1 :: 7.192 HD2 :: 7.192 HE1 :: 7.172 HE2 :: 7.172 HZ :: 7.302 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 :: 118.750 Ave N Shift Values>> N :: 120.69(4.18) 1.E14 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.39 Q 0.05 C Shift Assignments>> C :: 173.696 CA :: 54.666 CB :: 35.053 CG :: 33.425 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 :: 8.845 HA :: 5.349 HB2 :: 2.258 HB3 :: 2.258 HG2 :: 2.233 HG3 :: 2.114 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 :: 117.540 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 171.645 CA :: 45.017 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.107 HA2 :: 3.863 HA3 :: 4.477 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.667 Ave N Shift Values>> N :: 109.91(4.29) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 HN Overlap>> 1.V257 1.V257 C Shift Assignments>> C :: 176.521 CA :: 60.257 CB :: 33.605 CG1 :: 20.163 CG2 :: 20.441 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 :: 8.347 HA :: 4.554 HB :: 1.735 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 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 :: 117.803 Ave N Shift Values>> N :: 121.02(4.96) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.770 CA :: 44.094 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.171 HA2 :: 3.458 HA3 :: 4.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.206 Ave N Shift Values>> N :: 109.91(4.29) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 174.768 CA :: 63.642 CB :: 36.587 CG1 :: 30.074 CG2 :: 15.446 CD1 :: 14.236 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 :: 8.580 HA :: 3.361 HB :: 1.200 HG12 :: 0.522 HG13 :: 0.522 HG21 :: -0.019 HG22 :: -0.019 HG23 :: -0.019 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 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 :: 126.865 Ave N Shift Values>> N :: 121.6(4.72) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 V 0.12 K 0.11 R 0.1 E 0.09 M 0.09 H 0.07 Q 0.03 I 0.02 P 0.01 C Shift Assignments>> C :: 179.348 CA :: 59.305 CB :: 31.936 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 :: 9.714 HA :: 4.923 HB2 :: 2.833 HB3 :: 2.872 HD2 :: 7.024 HE1 :: 7.127 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 :: 123.866 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 178.080 CA :: 63.322 CB :: 70.827 CG2 :: 21.973 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 :: 10.550(S) HA :: 4.078 HB :: 4.087 HG1 :: 5.582 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 111.757 Ave N Shift Values>> N :: 115.7(5.05) 1.G21 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 :: 172.626 CA :: 45.622 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.662 HA2 :: 3.532 HA3 :: 3.289 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.324 Ave N Shift Values>> N :: 109.91(4.29) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.29 E 0.22 Q 0.02 C Shift Assignments>> C :: 176.231 CA :: 54.225 CB :: 32.249 CG :: 36.240 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 :: 7.453 HA :: 4.473 HB2 :: 1.924 HB3 :: 1.924 HG2 :: 2.113 HG3 :: 2.290 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 :: 117.801 Ave N Shift Values>> N :: 120.68(3.68) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 I 0.21 C 0.2 E 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 175.448 CA :: 59.301 CB :: 38.773 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 :: 8.784 HA :: 4.370 HB2 :: 2.880 HB3 :: 3.029 HD1 :: 7.021 HD2 :: 7.021 HE1 :: 6.737 HE2 :: 6.737 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 :: 124.532 Ave N Shift Values>> N :: 120.79(4.69) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.21 C Shift Assignments>> C :: 171.163 CA :: 56.787 CB :: 66.752 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.280 HA :: 5.020 HB2 :: 3.696 HB3 :: 3.696 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 :: 123.349 Ave N Shift Values>> N :: 116.3(3.95) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.27 K 0.27 M 0.01 G 0.01 C Shift Assignments>> C :: 173.696 CA :: 54.394 CB :: 36.228 CG :: 25.454 CD :: 29.669 CE :: 41.895 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 :: 8.149 HA :: 5.080 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 1.325 HG3 :: 1.523 HD2 :: 1.731 HD3 :: 1.731 HE2 :: 2.911 HE3 :: 2.911 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 :: 120.946 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.44 L 0.02 C Shift Assignments>> C :: 176.132 CA :: 52.732 CB :: 46.852 CD1 :: 26.688 CD2 :: 27.512 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 :: 9.286 HA :: 5.768 HB2 :: 1.706 HB3 :: 1.759 HG :: 1.678 HD11 :: 1.011 HD12 :: 1.011 HD13 :: 1.011 HD21 :: 1.034 HD22 :: 1.034 HD23 :: 1.034 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 :: 122.676 Ave N Shift Values>> N :: 121.98(4.07) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.865 CA :: 60.825 CB :: 41.318 CG1 :: 27.915 CG2 :: 17.960 CD1 :: 14.245 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 :: 9.270 HA :: 4.843 HB :: 1.760 HG12 :: 1.051 HG13 :: 1.430 HG21 :: 0.275 HG22 :: 0.275 HG23 :: 0.275 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 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 :: 123.499 Ave N Shift Values>> N :: 121.6(4.72) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.086 CA :: 60.761 CB :: 37.832 CG1 :: 27.926 CG2 :: 18.258 CD1 :: 13.607 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 :: 9.540 HA :: 4.588 HB :: 1.997 HG12 :: 1.785 HG13 :: 1.785 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 126.854 Ave N Shift Values>> N :: 121.6(4.72) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.21 K 0.15 Q 0.12 H 0.08 R 0.07 W 0.06 E 0.03 C Shift Assignments>> CA :: 53.703 CB :: 32.843 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 :: 9.468 HA :: 4.892 HB2 :: 3.007 HB3 :: 3.007 HD2 :: 6.940 HE1 :: 7.740 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 :: 125.483 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 177.592 CA :: 62.112 CB :: 32.534 CG :: 26.693 CD :: 50.934 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 :: 4.640 HB2 :: 2.733 HB3 :: 1.772 HG2 :: 1.762 HG3 :: 1.941 HD2 :: 3.532 HD3 :: 3.844 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.E31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.83 M 0.13 E 0.02 C Shift Assignments>> C :: 175.256 CA :: 53.664 CB :: 35.046 CG :: 35.356 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 :: 7.786 HA :: 4.869 HB2 :: 2.004 HB3 :: 2.333 HG2 :: 2.025 HG3 :: 1.026(A) 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 :: 118.359 Ave N Shift Values>> N :: 120.68(3.68) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.08 M 0.02 HN Overlap>> 1.N157 1.N157 C Shift Assignments>> C :: 176.226 CA :: 55.598 CB :: 33.928 CG :: 23.954 CD :: 28.798 CE :: 41.622 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 :: 8.025 HA :: 4.081 HB2 :: 1.799 HB3 :: 1.854 HG2 :: 1.468 HG3 :: 1.468 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.998 HE3 :: 2.998 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 :: 117.681 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.19 K 0.04 M 0.02 C Shift Assignments>> C :: 177.398 CA :: 57.851 CB :: 29.368 CG :: 37.347 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 :: 9.160 HA :: 4.038 HB2 :: 1.712 HB3 :: 1.871 HG2 :: 2.178 HG3 :: 2.269 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 :: 121.319 Ave N Shift Values>> N :: 120.68(3.68) 1.G34 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 :: 174.571 CA :: 45.574 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.438 HA2 :: 3.913 HA3 :: 3.913 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.125 Ave N Shift Values>> N :: 109.91(4.29) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.K208 1.L237 1.K208 1.L237 1.E128 1.E128 C Shift Assignments>> C :: 175.837 CA :: 65.844 CB :: 68.941 CG2 :: 20.469 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 :: 7.619 HA :: 3.876 HB :: 3.870 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 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 :: 117.778 Ave N Shift Values>> N :: 115.7(5.05) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.23 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.818 CA :: 43.980 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.659 HA2 :: 4.086 HA3 :: 4.086 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.998 Ave N Shift Values>> N :: 109.91(4.29) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.29 A 0.02 C Shift Assignments>> C :: 176.619 CA :: 58.394 CB :: 35.354 CG1 :: 25.971 CG2 :: 17.359 CD1 :: 11.755 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 :: 8.049 HA :: 4.496 HB :: 1.736 HG12 :: 1.102 HG13 :: 1.102 HG21 :: 0.182 HG22 :: 0.182 HG23 :: 0.182 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 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 :: 116.292 Ave N Shift Values>> N :: 121.6(4.72) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.22 R 0.2 G 0.14 C Shift Assignments>> C :: 173.894 CA :: 53.704 CB :: 33.185 CG :: 25.413 CD :: 43.435 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 :: 7.950 HA :: 4.857 HB2 :: 1.698 HB3 :: 2.337 HG2 :: 1.449 HG3 :: 1.617 HD2 :: 2.584 HD3 :: 2.851 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 :: 123.203 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.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.15 Y 0.15 L 0.15 C 0.14 K 0.13 N 0.03 I 0.02 R 0.02 C Shift Assignments>> C :: 175.253 CA :: 56.463 CB :: 40.767 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 :: 9.103 HA :: 5.393 HB2 :: 2.980 HB3 :: 2.870 HD1 :: 7.161 HD2 :: 7.161 HE1 :: 6.940 HE2 :: 6.940 HZ :: 6.871 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 :: 120.661 Ave N Shift Values>> N :: 120.69(4.18) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.22 K 0.14 D 0.11 C 0.1 F 0.06 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 173.112 CA :: 55.572 CB :: 42.779 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 :: 8.911 HA :: 5.434 HB2 :: 2.555 HB3 :: 2.373 HD1 :: 6.117 HD2 :: 6.117 HE1 :: 6.817 HE2 :: 6.817 HZ :: 7.069 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 :: 123.451 Ave N Shift Values>> N :: 120.69(4.18) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.31 K 0.15 M 0.04 G 0.02 HN Overlap>> 1.L206 1.L206 C Shift Assignments>> C :: 175.063 CA :: 54.702 CB :: 36.289 CG :: 24.809 CD :: 30.705 CE :: 42.481 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 :: 8.401 HA :: 4.641 HB2 :: 1.414 HB3 :: 1.665 HG2 :: 1.192 HG3 :: 1.585 HD2 :: 1.390 HD3 :: 1.640 HE2 :: 3.304 HE3 :: 3.304 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 :: 127.126 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.28 E 0.12 M 0.08 Y 0.07 F 0.03 K 0.03 D 0.02 C Shift Assignments>> C :: 174.575 CA :: 53.711 CB :: 36.577 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 :: 9.070 HA :: 4.240 HB2 :: 2.474 HB3 :: 2.966 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 :: 124.026 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.305 CA :: 45.319 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.759 HA2 :: 3.381 HA3 :: 4.054 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.262 Ave N Shift Values>> N :: 109.91(4.29) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.671 CA :: 61.021 CB :: 34.498 CG1 :: 21.378 CG2 :: 21.380 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 :: 7.393 HA :: 4.191 HB :: 2.072 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 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 :: 122.259 Ave N Shift Values>> N :: 121.02(4.96) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.04 N 0.01 C Shift Assignments>> C :: 175.938 CA :: 58.042 CB :: 39.964 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 :: 8.378 HA :: 5.301 HB2 :: 2.589 HB3 :: 2.915 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.503 HE2 :: 6.503 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 :: 123.624 Ave N Shift Values>> N :: 120.79(4.69) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.47 A 0.04 C Shift Assignments>> CA :: 58.101 CB :: 40.746 CG1 :: 27.608 CG2 :: 18.563 CD1 :: 14.543 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 :: 9.107 HA :: 4.060 HB :: 1.674 HG12 :: 0.959 HG13 :: 1.567 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 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 :: 122.408 Ave N Shift Values>> N :: 121.6(4.72) 1.P47 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.97 C 0.02 C Shift Assignments>> C :: 175.059 CA :: 62.994 CD :: 49.662 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 :: 4.124 HB2 :: 2.260 HB3 :: 2.260 HG2 :: 1.458 HG3 :: 1.458 HD2 :: 1.369(S) HD3 :: 3.159 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) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (HD2 > HG3 : 0.9949) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 G 0.01 C Shift Assignments>> C :: 177.983 CA :: 49.629 CB :: 17.049 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.736 HA :: 4.499 HB1 :: 1.070 HB2 :: 1.070 HB3 :: 1.070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.693 Ave N Shift Values>> N :: 123.23(3.7) 1.R49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 G 0.16 K 0.1 HN Overlap>> 1.H50 1.H50 C Shift Assignments>> C :: 174.767 CA :: 53.386 CB :: 36.853(S) CG :: 28.228 CD :: 43.047 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 :: 8.044 HA :: 5.164 HB2 :: 1.491 HB3 :: 2.301 HG2 :: 1.469 HG3 :: 1.572 HD2 :: 3.178 HD3 :: 3.333 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 :: 118.632 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.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.14 R 0.13 E 0.13 H 0.1 K 0.08 M 0.08 Q 0.07 V 0.04 I 0.03 HN Overlap>> 1.R49 1.R49 C Shift Assignments>> C :: 176.130 CA :: 58.424 CB :: 31.054 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 :: 8.047 HA :: 4.102 HB2 :: 2.745 HB3 :: 2.881 HD1 :: 7.118 HD2 :: 7.108 HE1 :: 7.120 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 :: 118.629 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 I 0.29 E 0.21 K 0.07 Q 0.02 C Shift Assignments>> C :: 176.911 CA :: 59.592 CB :: 27.644 CG :: 36.208 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 :: 8.962 HA :: 3.757 HB2 :: 1.205(S) HB3 :: 1.299 HG2 :: 1.741 HG3 :: 1.921 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 :: 122.249 Ave N Shift Values>> N :: 120.68(3.68) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.24 F 0.19 E 0.1 I 0.09 D 0.03 N 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 174.474 CA :: 57.480 CB :: 38.175 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 :: 7.909 HA :: 4.606 HB2 :: 2.981 HB3 :: 3.731 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 7.146 HE2 :: 7.146 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 :: 115.526 Ave N Shift Values>> N :: 120.69(4.18) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 177.690 CA :: 63.606 CB :: 31.936 CG1 :: 22.584 CG2 :: 24.798 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 :: 7.265 HA :: 4.264 HB :: 2.136 HG11 :: 1.021 HG12 :: 1.021 HG13 :: 1.021 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 120.501 Ave N Shift Values>> N :: 121.02(4.96) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.3 C Shift Assignments>> C :: 175.645 CA :: 60.458 CB :: 32.788 CG1 :: 20.785 CG2 :: 17.656 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 :: 8.846 HA :: 4.717 HB :: 2.323 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 0.581 HG22 :: 0.581 HG23 :: 0.581 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 :: 120.930 Ave N Shift Values>> N :: 121.02(4.96) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.16 M 0.14 Q 0.11 W 0.09 R 0.08 V 0.07 H 0.06 E 0.06 HN Overlap>> 1.E95 1.E95 C Shift Assignments>> C :: 172.429 CA :: 58.105 CB :: 32.816 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 :: 7.503 HA :: 4.746 HB2 :: 3.195 HB3 :: 2.887 HD2 :: 6.674 HE1 :: 6.684 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 :: 120.930 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.33 C Shift Assignments>> C :: 172.530 CA :: 59.643 CB :: 72.358 CG2 :: 23.582 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 :: 6.953 HA :: 5.140 HB :: 3.831 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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 :: 114.078 Ave N Shift Values>> N :: 115.7(5.05) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.19 D 0.17 F 0.12 Y 0.07 C 0.07 R 0.04 I 0.04 N 0.02 C Shift Assignments>> C :: 174.867 CB :: 41.571 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 :: 6.432 HA :: 4.339 HB2 :: 3.067 HB3 :: 2.902 HD21 :: 7.114 HD22 :: 7.114 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 :: 118.755 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.258 HA :: 4.935 HB2 :: 2.459 HB3 :: 2.880 HD2 :: 7.157 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 :: 119.298 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.814 CA :: 60.125 CB :: 62.079 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 3.644 HB2 :: 3.735 HB3 :: 3.735 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) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.22 S 0.01 C Shift Assignments>> C :: 173.015 CA :: 62.371 CB :: 68.054 CG2 :: 23.594 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 :: 7.758 HA :: 4.458 HB :: 3.827 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 124.966 Ave N Shift Values>> N :: 115.7(5.05) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.19 G 0.15 C 0.13 R 0.13 K 0.04 N 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.424 CA :: 51.796 CB :: 43.128 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 :: 8.517 HA :: 5.473 HB2 :: 2.381 HB3 :: 2.596 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 :: 123.610 Ave N Shift Values>> N :: 120.73(4.2) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.21 L 0.14 A 0.06 C Shift Assignments>> C :: 176.423 CA :: 52.443 CB :: 46.232 CG :: 26.967 CD1 :: 26.995 CD2 :: 23.272 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 :: 8.263 HA :: 5.537 HB2 :: 1.213 HB3 :: 1.415 HG :: 1.541 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 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.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 171.748 CA :: 47.134 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.238 HA2 :: 4.855 HA3 :: 3.887 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.872 Ave N Shift Values>> N :: 109.91(4.29) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.19 K 0.15 C 0.12 F 0.09 Y 0.07 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 174.282 CA :: 57.385 CB :: 42.800 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 :: 8.391 HA :: 4.945 HB2 :: 3.813 HB3 :: 2.689 HD1 :: 7.559 HD2 :: 7.559 HE1 :: 7.540 HE2 :: 7.540 HZ :: 7.538 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 :: 118.629 Ave N Shift Values>> N :: 120.69(4.18) 1.K65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.26 M 0.02 C Shift Assignments>> CA :: 57.015 CB :: 30.455 CG :: 24.514 CD :: 29.090 CE :: 41.902 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 :: 8.550 HA :: 3.565 HB2 :: 1.397 HB3 :: 1.856 HG2 :: 0.339(S) HG3 :: 0.650 HD2 :: 1.410 HD3 :: 1.410 HE2 :: 2.799 HE3 :: 2.872 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 :: 124.442 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.317 CA :: 45.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.583 HA3 :: 4.121 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Q67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.971 HA :: 4.556 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 2.313 HG3 :: 2.313 HE21 :: 6.980 HE22 :: 7.463 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 :: 119.163 NE2 :: 113.766 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.46 R 0.23 K 0.19 G 0.1 C Shift Assignments>> C :: 175.063 CA :: 54.676 CB :: 33.907 CG :: 27.335 CD :: 43.349 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>> HA :: 5.208 HB2 :: 1.624 HB3 :: 1.624 HG2 :: 1.335 HG3 :: 1.472 HD2 :: 3.034 HD3 :: 3.034 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) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 HN Overlap>> 1.Q117 1.Q117 C Shift Assignments>> C :: 174.086 CA :: 60.159 CB :: 41.311 CG1 :: 27.373 CG2 :: 18.568 CD1 :: 15.728 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 :: 9.099 HA :: 3.885 HB :: 1.072 HG12 :: 0.651 HG13 :: 1.157 HG21 :: 0.425 HG22 :: 0.425 HG23 :: 0.425 HD11 :: 0.581 HD12 :: 0.581 HD13 :: 0.581 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 :: 122.865 Ave N Shift Values>> N :: 121.6(4.72) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 K 0.14 M 0.01 C Shift Assignments>> C :: 176.035 CA :: 56.473 CB :: 32.871 CG :: 23.859 CE :: 39.396 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 :: 8.106 HA :: 4.415 HB2 :: 1.740 HB3 :: 1.740 HG2 :: 1.287 HG3 :: 1.554 HE2 :: 2.612 HE3 :: 2.789 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 :: 124.834 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.63 C 0.35 C Shift Assignments>> C :: 175.355 CA :: 61.793 CB :: 64.254 CG2 :: 24.792 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 :: 8.170 HA :: 4.160 HB :: 4.699 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 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 :: 116.072 Ave N Shift Values>> N :: 115.7(5.05) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 I 0.01 C Shift Assignments>> C :: 177.985 CA :: 62.410 CB :: 31.935 CG1 :: 21.379 CG2 :: 17.358 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 :: 8.394 HA :: 4.091 HB :: 2.204 HG11 :: 0.274 HG12 :: 0.274 HG13 :: 0.274 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 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 :: 113.098 Ave N Shift Values>> N :: 121.02(4.96) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.32 K 0.18 Q 0.05 P 0.04 M 0.01 C Shift Assignments>> CA :: 59.299 CB :: 27.277 CG :: 31.628 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 :: 10.255 HA :: 4.218 HB2 :: 2.264 HB3 :: 1.731 HG2 :: 1.750 HG3 :: 1.875 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 :: 119.848 Ave N Shift Values>> N :: 120.68(3.68) 1.H74 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 HN Overlap>> 1.H226 1.H226 1.L200 1.L200 C Shift Assignments>> C :: 171.359 CA :: 56.798 CB :: 66.430(A) 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 :: 8.223 HA :: 4.802 HB2 :: 4.007 HB3 :: 4.007 HD2 :: 7.181 HE1 :: 8.136 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 :: 117.409 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) SRO Rule Breaks>> (CA > CB : 1.0000) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.33 M 0.02 HN Overlap>> 1.E187 1.E187 C Shift Assignments>> C :: 176.423 CA :: 61.491 CB :: 36.857 CG1 :: 29.965 CG2 :: 17.961 CD1 :: 12.933 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 :: 8.425 HA :: 3.806 HB :: 1.076 HG12 :: 0.678 HG13 :: 0.774 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 HD11 :: 0.117 HD12 :: 0.117 HD13 :: 0.117 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 :: 118.218 Ave N Shift Values>> N :: 121.6(4.72) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.44 R 0.08 K 0.01 C Shift Assignments>> C :: 178.276 CA :: 58.045 CB :: 40.950 CG :: 27.588 CD1 :: 26.315 CD2 :: 22.901 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 :: 7.691 HA :: 4.045 HB2 :: 1.569 HB3 :: 1.813 HG :: 1.979 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 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 :: 120.370 Ave N Shift Values>> N :: 121.98(4.07) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.107 CA :: 61.174 CB :: 61.769 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.472 HA :: 3.505 HB2 :: 3.212 HB3 :: 3.002 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 :: 114.033 Ave N Shift Values>> N :: 116.3(3.95) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.106 CA :: 68.035 CB :: 31.637 CG1 :: 24.490 CG2 :: 22.285 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 :: 7.306 HA :: 3.581 HB :: 2.240 HG11 :: 1.709 HG12 :: 1.709 HG13 :: 1.709 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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 :: 114.966 Ave N Shift Values>> N :: 121.02(4.96) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.28 R 0.03 A 0.01 C Shift Assignments>> C :: 177.302 CA :: 58.077 CB :: 40.328 CG :: 27.277 CD1 :: 27.301 CD2 :: 21.977 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 :: 7.734 HA :: 3.892 HB2 :: 1.681 HB3 :: 2.060 HG :: 1.700 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 115.819 Ave N Shift Values>> N :: 121.98(4.07) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.13 E 0.13 W 0.13 R 0.12 C 0.11 K 0.11 M 0.05 I 0.02 C Shift Assignments>> C :: 179.539 CA :: 56.778 CB :: 29.729 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 :: 8.269 HA :: 3.477 HB2 :: 2.577 HB3 :: 3.117 HD2 :: 6.594 HE1 :: 7.100 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 :: 119.970 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.3 G 0.07 R 0.06 HN Overlap>> 1.F13 1.F13 C Shift Assignments>> C :: 179.246 CA :: 57.362 CB :: 43.125 CG :: 26.035 CD1 :: 26.019 CD2 :: 24.187 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 :: 8.697 HA :: 4.012 HB2 :: 1.373 HB3 :: 2.136 HG :: 1.973 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 HD21 :: 0.709 HD22 :: 0.709 HD23 :: 0.709 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 :: 118.748 Ave N Shift Values>> N :: 121.98(4.07) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.24 R 0.14 A 0.05 G 0.04 C Shift Assignments>> C :: 174.476 CA :: 54.376 CB :: 42.814 CG :: 26.967 CD1 :: 26.705 CD2 :: 22.886 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 :: 7.654 HA :: 4.380 HB2 :: 1.700 HB3 :: 1.584 HG :: 1.842 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 115.533 Ave N Shift Values>> N :: 121.98(4.07) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.34 E 0.14 L 0.03 K 0.01 C Shift Assignments>> C :: 174.770 CA :: 58.069 CB :: 27.277 CG :: 37.892 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 :: 7.903 HA :: 3.365 HB2 :: 2.134 HB3 :: 2.295 HG2 :: 2.239 HG3 :: 2.457 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 :: 116.611 Ave N Shift Values>> N :: 120.68(3.68) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.42 C Shift Assignments>> C :: 177.107 CA :: 60.154 CB :: 35.644 CG1 :: 26.755 CG2 :: 18.251 CD1 :: 11.130 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 :: 8.303 HA :: 3.944 HB :: 1.962 HG12 :: 1.224 HG13 :: 1.395 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 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 :: 115.777 Ave N Shift Values>> N :: 121.6(4.72) 1.T85 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 :: 173.018 CA :: 62.131 CB :: 71.544 CG2 :: 20.769 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 :: 8.217 HA :: 4.479 HB :: 4.399 HG1 :: 3.010 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 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 :: 116.608 Ave N Shift Values>> N :: 115.7(5.05) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 C 0.13 R 0.11 G 0.08 K 0.05 N 0.05 F 0.02 Y 0.02 C Shift Assignments>> C :: 173.310 CA :: 51.850 CB :: 42.788 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 :: 7.514 HA :: 5.412 HB2 :: 2.663 HB3 :: 2.216 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 :: 118.616 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.12 V 0.02 C Shift Assignments>> C :: 173.697 CA :: 61.498 CB :: 37.475 CG1 :: 25.099 CG2 :: 21.681 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 :: 8.079 HA :: 4.636 HB :: 1.956 HG11 :: 0.891 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 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 :: 120.389 Ave N Shift Values>> N :: 121.02(4.96) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 HN Overlap>> 1.W184 1.W184 C Shift Assignments>> C :: 173.796 CA :: 61.505 CB :: 69.842 CG2 :: 23.579 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 :: 8.219 HA :: 5.170 HB :: 3.908 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 119.786 Ave N Shift Values>> N :: 115.7(5.05) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 174.474 CA :: 60.182 CB :: 37.236 CG1 :: 27.641 CG2 :: 19.460 CD1 :: 13.939 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 :: 9.299 HA :: 4.579 HB :: 1.504 HG12 :: 0.540 HG13 :: 1.148 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.071 HD12 :: 0.071 HD13 :: 0.071 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 :: 128.751 Ave N Shift Values>> N :: 121.6(4.72) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.1 M 0.09 H 0.09 Q 0.07 C 0.07 R 0.06 K 0.06 W 0.05 N 0.05 E 0.04 A 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 175.158 CA :: 55.244 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 :: 9.958 HA :: 5.417 HB2 :: 1.774 HB3 :: 2.041 HG2 :: 2.708 HG3 :: 2.708 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 :: 132.138 Ave N Shift Values>> N :: 120.68(3.68) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.4 C Shift Assignments>> C :: 174.672 CA :: 61.228 CB :: 33.886 CG1 :: 19.892 CG2 :: 22.283 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 :: 8.938 HA :: 4.656 HB :: 1.944 HG11 :: 0.672 HG12 :: 0.672 HG13 :: 0.672 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 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 :: 127.363 Ave N Shift Values>> N :: 121.02(4.96) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.452 CA :: 60.774 CB :: 37.062 CG1 :: 27.658 CG2 :: 18.254 CD1 :: 13.964 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 :: 9.281 HA :: 4.375 HB :: 2.079 HG12 :: 1.230 HG13 :: 1.491 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 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 :: 130.869 Ave N Shift Values>> N :: 121.6(4.72) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.309 CA :: 43.734 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.801 HA2 :: 4.839 HA3 :: 3.921 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.731 Ave N Shift Values>> N :: 109.91(4.29) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.12 C 0.12 F 0.07 Y 0.06 K 0.04 C Shift Assignments>> C :: 174.671 CA :: 53.339 CB :: 40.431 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 :: 8.955 HA :: 4.833 HB2 :: 2.596 HB3 :: 2.892 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 :: 114.584 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.21 Q 0.14 K 0.12 E 0.09 N 0.03 H 0.02 Y 0.02 W 0.01 R 0.01 HN Overlap>> 1.H55 1.H55 C Shift Assignments>> C :: 173.502 CA :: 54.004 CG :: 34.735 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 :: 7.454 HA :: 4.863 HB2 :: 1.611 HB3 :: 1.611 HG2 :: 2.355 HG3 :: 2.641 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 :: 120.925 Ave N Shift Values>> N :: 120.68(3.68) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.09 A 0.09 M 0.03 C Shift Assignments>> CA :: 56.735 CB :: 35.059 CG1 :: 27.630 CG2 :: 16.744 CD1 :: 10.219 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 :: 7.522 HA :: 4.102 HB :: 2.549 HG12 :: 1.657 HG13 :: 1.657 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 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 :: 124.849 Ave N Shift Values>> N :: 121.6(4.72) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.939 CA :: 63.276 CB :: 32.224 CG :: 27.335 CD :: 50.582 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 :: 3.935 HB2 :: 1.616 HB3 :: 1.892 HG2 :: 1.689 HG3 :: 1.898 HD2 :: 3.565 HD3 :: 3.765 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.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.32 A 0.12 C Shift Assignments>> C :: 176.425 CA :: 57.043 CB :: 39.073 CG2 :: 18.887 CD1 :: 13.341 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 :: 8.264 HA :: 4.540 HB :: 2.146 HG12 :: 1.329 HG13 :: 1.499 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 1.181 HD12 :: 1.181 HD13 :: 1.181 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 :: 121.602 Ave N Shift Values>> N :: 121.6(4.72) 1.L99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 A 0.05 L 0.02 HN Overlap>> 1.V132 1.V132 C Shift Assignments>> C :: 176.326 CA :: 56.152 CB :: 35.951(S) CG :: 26.519 CD1 :: 26.001 CD2 :: 22.558 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 :: 9.195 HA :: 3.884 HB2 :: 1.375 HB3 :: 2.170 HG :: 1.187 HD11 :: 0.008 HD12 :: 0.008 HD13 :: 0.008 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 124.290 Ave N Shift Values>> N :: 121.98(4.07) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.12 K 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 HN Overlap>> 1.I114 1.I114 C Shift Assignments>> C :: 175.934 CA :: 53.650 CB :: 41.250 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 :: 7.456 HA :: 4.841 HB2 :: 2.822 HB3 :: 3.263 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 :: 121.714 Ave N Shift Values>> N :: 120.73(4.2) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.989 CA :: 45.916 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.267 HA2 :: 3.518 HA3 :: 4.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.798 Ave N Shift Values>> N :: 109.91(4.29) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 S 0.36 C Shift Assignments>> C :: 175.739 CA :: 56.156 CB :: 67.659 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.577 HA :: 4.881 HB2 :: 3.057 HB3 :: 3.893 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 :: 118.349 Ave N Shift Values>> N :: 116.3(3.95) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.671 CA :: 46.244 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.410 HA2 :: 4.549 HA3 :: 3.543 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.523 Ave N Shift Values>> N :: 109.91(4.29) 1.W104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 P 0.17 C 0.15 W 0.1 I 0.1 R 0.05 E 0.04 K 0.02 H 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.038 CA :: 61.491 CB :: 31.304 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 :: 8.762 HA :: 4.243 HB2 :: 3.390 HB3 :: 3.152 HD1 :: 7.118 HE1 :: 9.965 HE3 :: 7.345 HZ2 :: 7.425 HZ3 :: 6.809 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 :: 124.015 NE1 :: 128.204 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.33 E 0.23 K 0.02 C Shift Assignments>> C :: 180.710 CA :: 59.883 CB :: 28.805 CG :: 37.297 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 :: 9.101 HA :: 3.685 HB2 :: 1.917 HB3 :: 1.917 HG2 :: 2.236 HG3 :: 2.382 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 :: 115.937 Ave N Shift Values>> N :: 120.68(3.68) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.19 I 0.14 L 0.03 D 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 176.425 CA :: 58.679 CB :: 39.680 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 :: 6.817 HA :: 4.319 HB2 :: 3.111 HB3 :: 2.830 HD1 :: 6.203 HD2 :: 6.203 HE1 :: 6.915 HE2 :: 6.915 HZ :: 7.217 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 :: 113.463 Ave N Shift Values>> N :: 120.69(4.18) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 F 0.21 Y 0.17 C 0.15 C Shift Assignments>> C :: 175.836 CA :: 61.799 CB :: 39.684 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 :: 8.523 HA :: 3.778 HB2 :: 2.902 HB3 :: 3.091 HD1 :: 6.865 HD2 :: 6.865 HE1 :: 6.827 HE2 :: 6.827 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 :: 119.672 Ave N Shift Values>> N :: 120.79(4.69) 1.E108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 E 0.29 K 0.14 I 0.12 Q 0.09 M 0.01 HN Overlap>> 1.E142 1.E142 C Shift Assignments>> C :: 178.080 CA :: 58.689 CB :: 28.809 CG :: 35.648 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 :: 8.709 HA :: 3.554 HB2 :: 1.393 HB3 :: 1.072(S) HG2 :: 1.769 HG3 :: 1.769 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 :: 118.085 Ave N Shift Values>> N :: 120.68(3.68) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.38 C 0.04 L 0.03 V 0.01 C Shift Assignments>> C :: 179.930 CA :: 54.381 CB :: 19.849 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.849 HA :: 4.164 HB1 :: 1.731 HB2 :: 1.731 HB3 :: 1.731 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.140 Ave N Shift Values>> N :: 123.23(3.7) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.370 CA :: 65.809 CB :: 37.537 CG1 :: 30.724 CG2 :: 18.547 CD1 :: 13.629 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 :: 8.403 HA :: 3.500 HB :: 1.508 HG12 :: 0.771 HG13 :: 2.179 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 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 :: 116.592 Ave N Shift Values>> N :: 121.6(4.72) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.31 K 0.21 L 0.09 G 0.05 HN Overlap>> 1.K190 1.K190 C Shift Assignments>> C :: 177.398 CA :: 58.996 CB :: 28.805 CG :: 26.264 CD :: 43.064 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 :: 8.363 HA :: 3.851 HB2 :: 1.404 HB3 :: 1.561 HG2 :: 1.615 HG3 :: 1.286 HD2 :: 2.412 HD3 :: 2.851 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 :: 117.540 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.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.22 M 0.03 C Shift Assignments>> C :: 176.134 CA :: 56.463 CB :: 32.218 CG :: 24.524 CD :: 28.798 CE :: 41.907 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 :: 6.735 HA :: 4.348 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 1.501 HG3 :: 1.501 HD2 :: 1.738 HD3 :: 1.738 HE2 :: 3.049 HE3 :: 3.049 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 :: 115.798 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.11 C 0.1 R 0.09 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 173.795 CA :: 53.083 CB :: 42.192 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 :: 8.036 HA :: 4.989 HB2 :: 2.507 HB3 :: 3.028 HD21 :: 7.111 HD22 :: 7.531 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 :: 119.437 ND2 :: 114.845 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 174.865 CA :: 63.755 CB :: 39.065 CG1 :: 28.807 CG2 :: 17.966 CD1 :: 14.547 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 :: 7.476 HA :: 4.003 HB :: 1.774 HG12 :: 2.042 HG13 :: 2.042 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 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 :: 121.699 Ave N Shift Values>> N :: 121.6(4.72) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.36 C 0.16 A 0.02 R 0.01 C Shift Assignments>> C :: 175.061 CA :: 53.343 CB :: 44.710 CG :: 26.546 CD1 :: 23.625 CD2 :: 25.687 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 :: 8.572 HA :: 4.668 HB2 :: 0.864 HB3 :: 1.546 HG :: 1.373 HD11 :: 0.987 HD12 :: 0.987 HD13 :: 0.987 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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 :: 129.688 Ave N Shift Values>> N :: 121.98(4.07) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 D 0.23 C 0.15 Y 0.11 F 0.1 L 0.07 E 0.01 C Shift Assignments>> C :: 175.543 CA :: 54.253 CB :: 39.342 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 :: 8.697 HA :: 4.822 HB2 :: 2.670 HB3 :: 2.806 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 :: 125.910 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.26 K 0.23 M 0.13 Q 0.01 HN Overlap>> 1.I69 1.I69 C Shift Assignments>> C :: 174.673 CA :: 54.962 CB :: 29.453 CG :: 30.385 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 :: 9.039 HA :: 4.451 HB2 :: 2.351 HB3 :: 2.351 HG2 :: 1.643 HG3 :: 1.839 HE21 :: 6.782 HE22 :: 7.397 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 :: 122.950 NE2 :: 112.147 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.24 C 0.14 Y 0.09 F 0.08 L 0.06 C Shift Assignments>> C :: 174.964 CA :: 53.706 CB :: 39.342 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 :: 8.642 HA :: 4.979 HB2 :: 2.751 HB3 :: 2.889 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 :: 116.312 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.17 Q 0.17 H 0.06 R 0.06 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 174.377 CA :: 55.227 CB :: 33.181 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 :: 7.348 HA :: 4.405 HB2 :: 1.481 HB3 :: 1.656 HG2 :: 1.695 HG3 :: 1.695 HD2 :: 2.990 HD3 :: 3.156 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 :: 118.915 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.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.08 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 176.426 CA :: 56.763 CB :: 30.186 CG :: 36.492 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 :: 8.625 HA :: 4.480 HB2 :: 1.907 HB3 :: 2.049 HG2 :: 2.260 HG3 :: 2.416 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 :: 125.105 Ave N Shift Values>> N :: 120.68(3.68) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 HN Overlap>> 1.Q162 1.Q162 C Shift Assignments>> C :: 176.132 CA :: 62.107 CB :: 39.947 CG2 :: 15.759 CD1 :: 14.845 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 :: 8.386 HA :: 3.746 HB :: 1.062 HG12 :: 1.546 HG13 :: 1.546 HG21 :: -0.072 HG22 :: -0.072 HG23 :: -0.072 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 122.929 Ave N Shift Values>> N :: 121.6(4.72) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.28 C 0.12 L 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 174.963 CA :: 52.433 CB :: 40.482 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 :: 8.495 HA :: 4.889 HB2 :: 2.553 HB3 :: 2.725 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 :: 127.956 Ave N Shift Values>> N :: 120.73(4.2) 1.Y123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 Y 0.24 F 0.22 C 0.19 E 0.03 C Shift Assignments>> C :: 176.426 CA :: 59.891 CB :: 38.773 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 :: 7.771 HA :: 4.265 HB2 :: 2.617 HB3 :: 2.843 HD1 :: 7.172 HD2 :: 7.172 HE1 :: 6.907 HE2 :: 6.907 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 :: 122.666 Ave N Shift Values>> N :: 120.79(4.69) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.14 E 0.03 D 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.186 CA :: 58.405 CB :: 39.077 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 :: 9.359 HA :: 4.440 HB2 :: 2.758 HB3 :: 3.299 HD1 :: 7.232 HD2 :: 7.232 HE1 :: 7.244 HE2 :: 7.244 HZ :: 7.236 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 :: 124.022 Ave N Shift Values>> N :: 120.69(4.18) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.836 CA :: 60.449 CB :: 33.358 CG1 :: 21.389 CG2 :: 20.534 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 :: 7.886 HA :: 4.742 HB :: 1.915 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 128.334 Ave N Shift Values>> N :: 121.02(4.96) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.619 CA :: 64.000 CB :: 31.933 CG1 :: 21.077 CG2 :: 22.617 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 :: 8.028 HA :: 3.848 HB :: 1.941 HG11 :: 0.610 HG12 :: 0.610 HG13 :: 0.610 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 126.072 Ave N Shift Values>> N :: 121.02(4.96) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.33 M 0.15 I 0.04 K 0.01 C Shift Assignments>> C :: 175.840 CA :: 57.492 CB :: 31.933 CG :: 36.777 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 :: 8.714 HA :: 4.351 HB2 :: 1.949 HB3 :: 2.100 HG2 :: 2.147 HG3 :: 2.343 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 :: 127.637 Ave N Shift Values>> N :: 120.68(3.68) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.34 E 0.16 Q 0.07 K 0.02 HN Overlap>> 1.T35 1.T35 C Shift Assignments>> CA :: 53.044 CB :: 31.641 CG :: 35.354 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 :: 7.607 HA :: 4.801 HB2 :: 1.949 HB3 :: 2.090 HG2 :: 2.181 HG3 :: 2.251 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 :: 117.687 Ave N Shift Values>> N :: 120.68(3.68) 1.P129 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>> C :: 176.619 CA :: 62.413 CB :: 32.230 CG :: 27.925 CD :: 50.498 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 :: 5.194 HB2 :: 2.302 HB3 :: 1.972 HG2 :: 1.955 HG3 :: 2.222 HD2 :: 3.739 HD3 :: 3.739 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.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.41 G 0.01 C Shift Assignments>> C :: 172.916 CA :: 59.876 CB :: 41.901 CG1 :: 27.943 CG2 :: 17.066 CD1 :: 13.961 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 :: 8.667 HA :: 4.575 HB :: 1.825 HG12 :: 1.156 HG13 :: 1.616 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 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 :: 121.327 Ave N Shift Values>> N :: 121.6(4.72) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.547 CA :: 60.165 CB :: 41.614 CG1 :: 28.516 CG2 :: 17.015 CD1 :: 13.969 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 :: 8.147 HA :: 5.144 HB :: 1.722 HG12 :: 0.997 HG13 :: 1.645 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 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 :: 124.706 Ave N Shift Values>> N :: 121.6(4.72) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 173.696 CA :: 60.759 CB :: 34.473 CG1 :: 21.681 CG2 :: 21.077 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 :: 9.107 HA :: 4.548 HB :: 2.011 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 124.291 Ave N Shift Values>> N :: 121.02(4.96) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.19 E 0.11 C Shift Assignments>> C :: 175.314 CA :: 54.959 CB :: 33.833 CG :: 36.586 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 :: 8.486 HA :: 5.243 HB2 :: 1.930 HB3 :: 2.102 HG2 :: 2.208 HG3 :: 2.208 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 :: 123.499 Ave N Shift Values>> N :: 120.68(3.68) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.21 R 0.2 C 0.12 D 0.07 F 0.02 K 0.01 Y 0.01 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 175.451 CA :: 54.336 CB :: 44.087 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 :: 8.547 HA :: 4.715 HB2 :: 2.530 HB3 :: 2.530 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 :: 121.699 Ave N Shift Values>> N :: 120.73(4.2) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.13 K 0.1 Q 0.03 C Shift Assignments>> C :: 176.329 CA :: 57.294 CB :: 28.228 CG :: 36.492 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 :: 9.048 HA :: 3.961 HB2 :: 1.999 HB3 :: 2.179 HG2 :: 2.237 HG3 :: 2.331 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 :: 124.439 Ave N Shift Values>> N :: 120.68(3.68) 1.G136 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 :: 174.087 CA :: 45.614 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.795 HA2 :: 3.747 HA3 :: 4.135 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.904 Ave N Shift Values>> N :: 109.91(4.29) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 K 0.13 G 0.12 C Shift Assignments>> C :: 175.347 CA :: 54.363 CB :: 32.249 CG :: 27.623 CD :: 43.617 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 :: 7.878 HA :: 4.805 HB2 :: 1.798 HB3 :: 1.588 HG2 :: 1.551 HG3 :: 1.599 HD2 :: 3.164 HD3 :: 3.355 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 :: 120.097 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.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.36 L 0.21 C Shift Assignments>> C :: 174.281 CA :: 55.278 CB :: 46.547 CG :: 26.755 CD1 :: 25.704 CD2 :: 26.302 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 :: 8.563 HA :: 5.359 HB2 :: 1.847 HB3 :: 1.783 HG :: 1.784 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 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 :: 121.860 Ave N Shift Values>> N :: 121.98(4.07) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.44 G 0.01 C Shift Assignments>> C :: 172.627 CA :: 60.485 CB :: 41.903 CG1 :: 27.643 CG2 :: 17.963 CD1 :: 15.754 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 :: 9.160 HA :: 5.610 HB :: 1.762 HG12 :: 1.327 HG13 :: 1.824 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 HD11 :: 1.060 HD12 :: 1.060 HD13 :: 1.060 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 :: 122.037 Ave N Shift Values>> N :: 121.6(4.72) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.25 R 0.17 M 0.01 C Shift Assignments>> C :: 174.574 CA :: 54.035 CB :: 36.844 CG :: 25.094 CD :: 29.389 CE :: 41.337 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 :: 9.458 HA :: 5.509 HB2 :: 1.986 HB3 :: 1.849 HG2 :: 1.220 HG3 :: 1.440 HD2 :: 1.613 HD3 :: 1.613 HE2 :: 2.760 HE3 :: 2.760 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 :: 125.787 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 C 0.2 L 0.18 K 0.04 G 0.02 A 0.01 R 0.01 M 0.01 C Shift Assignments>> C :: 175.645 CA :: 49.588 CB :: 24.476 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.100 HA :: 5.175 HB1 :: 1.248 HB2 :: 1.248 HB3 :: 1.248 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.782 Ave N Shift Values>> N :: 123.23(3.7) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.22 E 0.17 HN Overlap>> 1.E108 1.E108 C Shift Assignments>> CA :: 53.654 CB :: 32.560 CG :: 37.011 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 :: 8.743 HA :: 4.503 HB2 :: 1.880 HB3 :: 2.074 HG2 :: 2.023 HG3 :: 2.100 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 :: 118.084 Ave N Shift Values>> N :: 120.68(3.68) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.132 CA :: 63.353 CB :: 32.503 CG :: 27.354 CD :: 50.582 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 :: 4.361 HB2 :: 2.308 HB3 :: 1.757 HG2 :: 2.000 HG3 :: 1.505 HD2 :: 2.978 HD3 :: 3.657 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.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.918 CA :: 57.843 CB :: 64.635 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.381 HA :: 4.298 HB2 :: 3.373 HB3 :: 3.968 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 :: 114.853 Ave N Shift Values>> N :: 116.3(3.95) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.16 C 0.12 F 0.11 N 0.1 Y 0.09 K 0.09 R 0.01 C Shift Assignments>> C :: 175.645 CA :: 54.798 CB :: 40.724 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 :: 8.271 HA :: 4.510 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 :: 121.724 Ave N Shift Values>> N :: 120.73(4.2) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.25 C Shift Assignments>> C :: 173.992 CA :: 59.032 CB :: 71.462 CG2 :: 21.677 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 :: 7.719 HA :: 4.523 HB :: 3.897 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 110.793 Ave N Shift Values>> N :: 115.7(5.05) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.42 R 0.08 A 0.04 C Shift Assignments>> C :: 174.477 CA :: 56.162 CB :: 41.260 CG :: 27.875 CD1 :: 22.285 CD2 :: 25.099 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 :: 9.562 HA :: 5.114 HB2 :: 2.052 HB3 :: 2.116 HG :: 1.540 HD11 :: 1.070 HD12 :: 1.070 HD13 :: 1.070 HD21 :: 0.752 HD22 :: 0.752 HD23 :: 0.752 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 :: 126.188 Ave N Shift Values>> N :: 121.98(4.07) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.2 E 0.17 Y 0.11 M 0.07 F 0.05 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 175.840 CA :: 54.668 CG :: 36.821 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 :: 8.579 HA :: 5.418 HB2 :: 1.882 HB3 :: 1.882 HG2 :: 2.053 HG3 :: 2.288 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 :: 128.729 Ave N Shift Values>> N :: 120.68(3.68) 1.V149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.23 I 0.1 C Shift Assignments>> C :: 173.892 CA :: 61.508 CB :: 36.253 CG1 :: 23.893 CG2 :: 20.769 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 :: 9.493 HA :: 5.138 HB :: 2.145 HG11 :: 1.060 HG12 :: 1.060 HG13 :: 1.060 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 125.111 Ave N Shift Values>> N :: 121.02(4.96) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.820 CA :: 61.193 CB :: 70.782 CG2 :: 21.378 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 :: 9.197 HA :: 5.844 HB :: 4.179 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 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 :: 126.035 Ave N Shift Values>> N :: 115.7(5.05) 1.Y151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 G 0.24 R 0.24 C 0.14 F 0.03 D 0.02 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.620 CA :: 56.460 CB :: 44.387 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 :: 8.576 HA :: 5.345 HB2 :: 2.530 HB3 :: 3.176 HD1 :: 6.829 HD2 :: 6.829 HE1 :: 7.203 HE2 :: 7.203 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 :: 126.164 Ave N Shift Values>> N :: 120.79(4.69) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.23 E 0.1 C Shift Assignments>> C :: 172.918 CA :: 54.271 CB :: 33.803 CG :: 36.208 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 :: 8.704 HA :: 5.365 HB2 :: 1.922 HB3 :: 2.260 HG2 :: 2.255 HG3 :: 2.464 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 :: 131.123 Ave N Shift Values>> N :: 120.68(3.68) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.08 C 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 170.777 CA :: 43.407 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.923 HA2 :: 3.276 HA3 :: 4.229 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.937 Ave N Shift Values>> N :: 109.91(4.29) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.27 M 0.24 Q 0.01 I 0.01 C Shift Assignments>> C :: 173.985 CA :: 55.250 CB :: 32.249 CG :: 36.528 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 :: 7.389 HA :: 4.537 HB2 :: 1.843 HB3 :: 1.689 HG2 :: 2.001 HG3 :: 2.001 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 :: 119.306 Ave N Shift Values>> N :: 120.68(3.68) 1.F155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.15 Y 0.15 L 0.15 C 0.14 K 0.13 N 0.03 I 0.02 R 0.02 C Shift Assignments>> C :: 176.717 CA :: 56.442 CB :: 40.724 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 :: 8.256 HA :: 4.842 HB2 :: 3.198 HB3 :: 3.070 HD1 :: 7.464 HD2 :: 7.464 HE1 :: 7.346 HE2 :: 7.346 HZ :: 6.902 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 :: 125.649 Ave N Shift Values>> N :: 120.69(4.18) 1.K156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.354 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 :: 8.228 HA :: 4.298 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 :: 122.537 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.14 L 0.03 Y 0.03 F 0.03 HN Overlap>> 1.K32 1.K32 1.K227 1.K227 C Shift Assignments>> C :: 176.621 CA :: 51.245 CB :: 39.371 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 :: 7.958 HA :: 4.983 HB2 :: 3.219 HB3 :: 3.219 HD21 :: 6.321 HD22 :: 7.502 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 :: 117.679 ND2 :: 109.583 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.22 I 0.21 F 0.19 E 0.07 C Shift Assignments>> C :: 175.256 CA :: 59.248 CB :: 38.177 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 :: 7.590 HA :: 4.521 HB2 :: 3.358 HB3 :: 3.358 HD1 :: 7.232 HD2 :: 7.232 HE1 :: 7.251 HE2 :: 7.251 HZ :: 7.038 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 :: 114.732 Ave N Shift Values>> N :: 120.69(4.18) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 R 0.06 A 0.01 G 0.01 C Shift Assignments>> C :: 178.275 CA :: 56.436 CB :: 41.907 CG :: 26.262 CD1 :: 26.311 CD2 :: 22.852 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 :: 6.657 HA :: 3.850 HB2 :: 1.727 HB3 :: 1.201 HG :: 0.483 HD11 :: 0.306 HD12 :: 0.306 HD13 :: 0.306 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 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 :: 121.062 Ave N Shift Values>> N :: 121.98(4.07) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 173.408 CA :: 46.488 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.312 HA2 :: 3.801 HA3 :: 4.049 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.492 Ave N Shift Values>> N :: 109.91(4.29) 1.R161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.34 K 0.13 G 0.07 C Shift Assignments>> C :: 176.523 CA :: 55.282 CB :: 30.893 CG :: 27.373 CD :: 43.332 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 :: 8.294 HA :: 5.155 HB2 :: 1.864 HB3 :: 2.015 HG2 :: 1.667 HG3 :: 1.786 HD2 :: 3.354 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 :: 125.476 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.Q162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.27 E 0.07 Q 0.01 HN Overlap>> 1.I121 1.I121 C Shift Assignments>> C :: 173.988 CA :: 54.733 CB :: 35.356 CG :: 34.127 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 :: 8.462 HA :: 5.056 HB2 :: 2.273 HB3 :: 2.273 HG2 :: 2.345 HG3 :: 2.502 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 :: 122.946 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 K 0.21 R 0.12 M 0.03 A 0.01 HN Overlap>> 1.S199 1.S199 C Shift Assignments>> C :: 174.769 CA :: 54.984 CB :: 37.011 CG :: 23.954 CD :: 29.653 CE :: 41.622 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 :: 8.708 HA :: 5.826(S) HB2 :: 1.858 HB3 :: 1.766 HG2 :: 1.347 HG3 :: 1.434 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.929 HE3 :: 2.929 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 :: 119.853 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.16 L 0.14 G 0.12 F 0.09 Y 0.06 K 0.05 I 0.01 D 0.01 C Shift Assignments>> C :: 172.525 CA :: 58.683 CB :: 43.689 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 :: 8.525 HA :: 4.745 HB2 :: 2.549 HB3 :: 3.177 HD1 :: 7.171 HD2 :: 7.171 HE1 :: 7.242 HE2 :: 7.242 HZ :: 7.308 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 :: 122.377 Ave N Shift Values>> N :: 120.69(4.18) 1.T165 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 :: 172.332 CA :: 61.793 CB :: 70.689 CG2 :: 21.383 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 :: 7.223 HA :: 4.936 HB :: 3.431 HG1 :: 5.797 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 123.869 Ave N Shift Values>> N :: 115.7(5.05) 1.F166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.25 C 0.11 K 0.11 F 0.07 D 0.06 Y 0.05 G 0.03 C Shift Assignments>> C :: 172.724 CA :: 56.484 CB :: 43.097 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 :: 9.561 HA :: 4.703 HB2 :: 3.016 HB3 :: 3.164 HD1 :: 6.916 HD2 :: 6.916 HE1 :: 6.919 HE2 :: 6.919 HZ :: 7.592 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 :: 128.182 Ave N Shift Values>> N :: 120.69(4.18) 1.V167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> C :: 173.414 CA :: 59.594 CB :: 34.498 CG1 :: 20.785 CG2 :: 20.494 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 :: 6.724 HA :: 4.206 HB :: 1.620 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 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 :: 125.228 Ave N Shift Values>> N :: 121.02(4.96) 1.E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.1 K 0.07 I 0.06 Q 0.06 C Shift Assignments>> C :: 175.257 CA :: 58.102 CB :: 30.508 CG :: 35.923 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 :: 7.381 HA :: 3.907 HB2 :: 2.117 HB3 :: 2.268 HG2 :: 2.338 HG3 :: 2.459 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 :: 122.137 Ave N Shift Values>> N :: 120.68(3.68) 1.G169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 175.840 CA :: 44.788 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.571 HA2 :: 4.005 HA3 :: 4.506 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.781 Ave N Shift Values>> N :: 109.91(4.29) 1.N170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.18 D 0.12 Y 0.05 F 0.04 L 0.01 E 0.01 C Shift Assignments>> C :: 177.205 CA :: 52.159 CB :: 38.202 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 :: 7.712 HA :: 5.480 HB2 :: 2.793 HB3 :: 3.164 HD21 :: 6.779 HD22 :: 7.151 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 :: 119.173 ND2 :: 112.956 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.24 E 0.05 C Shift Assignments>> C :: 178.179 CA :: 62.109 CB :: 28.210 CG :: 37.839 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 :: 9.734 HA :: 4.108 HB2 :: 2.092 HB3 :: 2.296 HG2 :: 2.566 HG3 :: 2.665 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 :: 120.919 Ave N Shift Values>> N :: 120.68(3.68) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.34 E 0.19 K 0.02 C Shift Assignments>> C :: 176.915 CA :: 59.870 CB :: 28.513 CG :: 37.594 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 :: 9.488 HA :: 3.917 HB2 :: 2.151 HB3 :: 2.229 HG2 :: 2.354 HG3 :: 2.513 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 :: 120.248 Ave N Shift Values>> N :: 120.68(3.68) 1.E173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 176.913 CA :: 57.048 CB :: 30.074 CG :: 36.208 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 :: 7.975 HA :: 4.199 HB2 :: 2.320 HB3 :: 2.432 HG2 :: 2.402 HG3 :: 2.684 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 :: 115.106 Ave N Shift Values>> N :: 120.68(3.68) 1.I174 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 176.912 CA :: 61.559 CB :: 41.001 CG1 :: 25.664 CG2 :: 19.460 CD1 :: 15.478 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 :: 7.458 HA :: 4.475 HB :: 1.942 HG12 :: 1.116 HG13 :: 1.291 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.375 HD12 :: 0.375 HD13 :: 0.375 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 :: 104.895(S) Ave N Shift Values>> N :: 121.6(4.72) 1.V175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 173.793 CA :: 64.613 CB :: 31.936 CG1 :: 21.084 CG2 :: 19.785 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 :: 7.418 HA :: 3.428 HB :: 1.884 HG11 :: 0.673 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 115.372 Ave N Shift Values>> N :: 121.02(4.96) 1.L176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.32 R 0.2 G 0.02 C Shift Assignments>> C :: 176.816 CA :: 54.964 CB :: 42.477 CG :: 28.809 CD1 :: 24.805 CD2 :: 24.452 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 :: 7.336 HA :: 4.538 HB2 :: 1.529 HB3 :: 1.749 HG :: 1.254 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 HD21 :: 0.172 HD22 :: 0.172 HD23 :: 0.172 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 :: 115.262 Ave N Shift Values>> N :: 121.98(4.07) 1.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.03 L 0.01 C Shift Assignments>> C :: 177.690 CA :: 51.848 CB :: 19.798 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.168 HA :: 4.438 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.575 Ave N Shift Values>> N :: 123.23(3.7) 1.R178 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.34 K 0.15 G 0.04 L 0.02 C Shift Assignments>> C :: 174.671 CA :: 56.485 CB :: 30.223 CG :: 26.519 CD :: 43.037 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 :: 10.616(S) HA :: 3.800 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 1.670 HG3 :: 1.734 HD2 :: 3.248 HD3 :: 3.248 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 :: 132.906 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.T179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 170.485 CA :: 63.603 CB :: 69.542 CG2 :: 20.156 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 :: 7.186 HA :: 3.119 HB :: 4.017 HG21 :: 1.459 HG22 :: 1.459 HG23 :: 1.459 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 :: 111.991 Ave N Shift Values>> N :: 115.7(5.05) 1.F180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.21 D 0.14 C 0.11 K 0.07 G 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 171.264 CA :: 54.037 CB :: 43.132 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 :: 6.196 HA :: 5.831 HB2 :: 2.497 HB3 :: 2.638 HD1 :: 7.347 HD2 :: 7.347 HE1 :: 6.819 HE2 :: 6.819 HZ :: 6.751 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 :: 115.923 Ave N Shift Values>> N :: 120.69(4.18) 1.A181 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.74 C 0.09 M 0.07 L 0.06 G 0.01 C Shift Assignments>> C :: 174.673 CA :: 49.647 CB :: 21.376 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.040 HA :: 3.762 HB1 :: 0.371(S) HB2 :: 0.371(S) HB3 :: 0.371(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.806 Ave N Shift Values>> N :: 123.23(3.7) 1.F182 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.23 Y 0.19 N 0.16 F 0.14 D 0.09 E 0.08 I 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 177.986 CA :: 55.615 CB :: 38.177 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 :: 8.500 HA :: 4.984 HB2 :: 1.062(S) HB3 :: 1.413(S) HD1 :: 6.998 HD2 :: 6.998 HE1 :: 7.249 HE2 :: 7.249 HZ :: 6.894 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 :: 118.779 Ave N Shift Values>> N :: 120.69(4.18) 1.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.22 E 0.17 F 0.14 I 0.07 N 0.03 M 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 178.864 CA :: 57.160 CB :: 37.576 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 :: 9.186 HA :: 3.647 HB2 :: 2.911 HB3 :: 2.377 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 :: 124.163 Ave N Shift Values>> N :: 120.73(4.2) 1.W184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 R 0.17 C 0.14 W 0.1 K 0.08 Q 0.08 L 0.06 E 0.06 H 0.06 P 0.01 HN Overlap>> 1.T88 1.T88 C Shift Assignments>> C :: 176.522 CA :: 59.327 CB :: 27.325 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 :: 8.231 HA :: 4.730 HB2 :: 3.423 HB3 :: 3.620 HD1 :: 7.291 HE1 :: 10.349 HE3 :: 6.931 HZ2 :: 6.968 HZ3 :: 6.983 HH2 :: 6.586 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 :: 119.851 NE1 :: 131.712 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.37 M 0.13 I 0.05 K 0.01 C Shift Assignments>> C :: 177.787 CA :: 56.754 CB :: 31.291 CG :: 37.040 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 :: 7.382 HA :: 4.576 HB2 :: 1.998 HB3 :: 2.077 HG2 :: 1.777 HG3 :: 2.237 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 :: 121.044 Ave N Shift Values>> N :: 120.68(3.68) 1.I186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.R225 1.R225 C Shift Assignments>> C :: 177.205 CA :: 65.822 CB :: 37.618 CG1 :: 29.118 CG2 :: 17.966 CD1 :: 12.339 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 :: 7.177 HA :: 3.454 HB :: 1.672 HG12 :: 0.661 HG13 :: 1.449 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 HD11 :: -0.083 HD12 :: -0.083 HD13 :: -0.083 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 :: 119.846 Ave N Shift Values>> N :: 121.6(4.72) 1.E187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.19 K 0.09 Q 0.04 M 0.01 HN Overlap>> 1.I75 1.I75 C Shift Assignments>> C :: 178.667 CA :: 59.589 CB :: 29.083 CG :: 35.923 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 :: 8.497 HA :: 4.017 HB2 :: 1.995 HB3 :: 2.059 HG2 :: 2.207 HG3 :: 2.281 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 :: 118.227 Ave N Shift Values>> N :: 120.68(3.68) 1.H188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.13 R 0.12 H 0.09 Q 0.07 I 0.07 K 0.05 V 0.05 M 0.04 C Shift Assignments>> C :: 179.543 CA :: 59.311 CB :: 30.360 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 :: 7.649 HA :: 4.386 HB2 :: 3.348 HB3 :: 3.348 HD2 :: 7.168 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 :: 119.025 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.E262 1.E262 C Shift Assignments>> C :: 177.690 CA :: 64.613 CB :: 38.131 CG1 :: 29.090 CG2 :: 17.359 CD1 :: 13.344 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 :: 8.046 HA :: 3.563 HB :: 1.990 HG12 :: 0.971 HG13 :: 1.808 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 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 :: 119.612 Ave N Shift Values>> N :: 121.6(4.72) 1.K190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.02 HN Overlap>> 1.R111 1.R111 C Shift Assignments>> C :: 181.491 CA :: 58.691 CB :: 31.934 CG :: 25.179 CD :: 29.083 CE :: 41.537 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 :: 8.323 HA :: 4.485 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 1.580 HG3 :: 1.762 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 2.969 HE3 :: 3.052 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 :: 117.581 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 C Shift Assignments>> C :: 178.763 CA :: 59.271 CB :: 32.226 CG :: 25.094 CD :: 29.083 CE :: 41.907 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 :: 7.991 HA :: 4.102 HB2 :: 2.101 HB3 :: 2.024 HG2 :: 1.543 HG3 :: 1.647 HD2 :: 1.768 HD3 :: 1.768 HE2 :: 3.035 HE3 :: 3.035 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 :: 121.598 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 176.225 CA :: 61.289 CB :: 30.793 CG1 :: 21.104 CG2 :: 18.900 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 :: 7.408 HA :: 4.396 HB :: 2.461 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 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 :: 110.809 Ave N Shift Values>> N :: 121.02(4.96) 1.G193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.503 CA :: 45.316 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.696 HA2 :: 3.733 HA3 :: 4.402 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.224 Ave N Shift Values>> N :: 109.91(4.29) 1.L194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.21 C 0.18 G 0.1 R 0.08 C Shift Assignments>> C :: 176.715 CA :: 52.761 CB :: 43.125 CG :: 26.804 CD1 :: 26.610 CD2 :: 21.983 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 :: 7.499 HA :: 4.871 HB2 :: 1.537 HB3 :: 1.462 HG :: 1.344 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 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 :: 119.569 Ave N Shift Values>> N :: 121.98(4.07) 1.G195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 176.425 CA :: 46.818 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.802 HA2 :: 3.491 HA3 :: 3.646 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.021 Ave N Shift Values>> N :: 109.91(4.29) 1.K196 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 :: 178.080 CA :: 59.863 CB :: 31.936 CG :: 25.949 CD :: 29.385 CE :: 41.337 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 :: 7.673 HA :: 3.779 HB2 :: 1.285 HB3 :: 1.609 HG2 :: 1.276 HG3 :: 1.387 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.996 HE3 :: 2.996 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 :: 118.202 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.476 CA :: 44.097 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.661 HA2 :: 3.483 HA3 :: 4.194 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.535 Ave N Shift Values>> N :: 109.91(4.29) 1.G198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 HN Overlap>> 1.G233 1.G233 C Shift Assignments>> C :: 171.944 CA :: 45.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.478 HA2 :: 2.666 HA3 :: 3.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.444 Ave N Shift Values>> N :: 109.91(4.29) 1.S199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.K163 1.K163 C Shift Assignments>> CA :: 56.496 CB :: 65.844 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.808 HA :: 4.093 HB2 :: 3.575 HB3 :: 3.575 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 :: 119.840 Ave N Shift Values>> N :: 116.3(3.95) 1.L200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 HN Overlap>> 1.H226 1.H74 1.H226 1.H74 C Shift Assignments>> C :: 177.692 CA :: 56.463 CB :: 40.424 CG :: 26.345 CD1 :: 26.001 CD2 :: 23.573 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 :: 8.194 HA :: 4.770 HB2 :: 1.856 HB3 :: 1.902 HG :: 2.001 HD11 :: 1.098 HD12 :: 1.098 HD13 :: 1.098 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 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 :: 117.409 Ave N Shift Values>> N :: 121.98(4.07) 1.K201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 L 0.25 C 0.25 R 0.1 C Shift Assignments>> C :: 177.398 CA :: 56.694 CG :: 24.809 CD :: 28.513 CE :: 41.907 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 :: 8.121 HA :: 4.240 HB2 :: 1.502 HB3 :: 1.825 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 3.000 HE3 :: 3.000 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 :: 115.250 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.13 C 0.12 K 0.04 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 170.875 CA :: 51.862 CB :: 40.950 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 :: 7.244 HA :: 4.513 HB2 :: 2.582 HB3 :: 2.901 HD21 :: 6.926 HD22 :: 8.784 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 :: 114.046 ND2 :: 117.544 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 173.796 CA :: 62.122 CB :: 72.974 CG2 :: 21.985 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 :: 7.206 HA :: 4.473 HB :: 3.967 HG21 :: 1.032 HG22 :: 1.032 HG23 :: 1.032 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 :: 110.243 Ave N Shift Values>> N :: 115.7(5.05) 1.L204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 A 0.08 C Shift Assignments>> C :: 173.793 CA :: 53.910 CG :: 27.089 CD1 :: 22.862 CD2 :: 25.403 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 :: 8.724 HA :: 4.437 HB2 :: 1.822 HB3 :: 1.822 HG :: 1.306 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 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 :: 127.222 Ave N Shift Values>> N :: 121.98(4.07) 1.V205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.061 CA :: 61.368 CB :: 31.935 CG1 :: 20.474 CG2 :: 23.187 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 :: 9.249 HA :: 4.664 HB :: 1.618 HG11 :: 0.032 HG12 :: 0.032 HG13 :: 0.032 HG21 :: 0.570 HG22 :: 0.570 HG23 :: 0.570 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 :: 129.809 Ave N Shift Values>> N :: 121.02(4.96) 1.L206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 C 0.17 R 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 176.035 CA :: 53.380 CB :: 45.300 CG :: 27.058 CD1 :: 26.336 CD2 :: 26.004 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 :: 8.401 HA :: 5.042 HB2 :: 1.629 HB3 :: 1.426 HG :: 1.486 HD11 :: 0.383 HD12 :: 0.383 HD13 :: 0.383 HD21 :: 0.904 HD22 :: 0.904 HD23 :: 0.904 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 :: 127.132 Ave N Shift Values>> N :: 121.98(4.07) 1.G207 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.132 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.003 HA2 :: 4.095 HA3 :: 5.546(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.629 Ave N Shift Values>> N :: 109.91(4.29) 1.K208 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.73 I 0.14 K 0.05 E 0.04 M 0.01 HN Overlap>> 1.L237 1.T35 1.L237 1.T35 C Shift Assignments>> CA :: 59.593 CB :: 32.560 CE :: 39.396 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 :: 7.628 HA :: 4.474 HB2 :: 1.949 HB3 :: 2.112 HG2 :: 1.684 HG3 :: 1.684 HE2 :: 4.345(A) HE3 :: 4.345(A) 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 :: 117.814 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.27 D 0.23 R 0.13 K 0.1 C 0.1 N 0.04 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 174.671 CA :: 53.338 CB :: 42.477 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 :: 8.821 HA :: 4.900 HB2 :: 2.633 HB3 :: 2.717 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.K210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.18 K 0.16 E 0.09 R 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 173.988 CA :: 54.648 CB :: 35.046 CG :: 26.656 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 :: 7.047 HA :: 4.427 HB2 :: 1.604 HB3 :: 1.644 HG2 :: 1.537 HG3 :: 1.737 HD2 :: 1.303 HD3 :: 1.303 HE2 :: 2.973 HE3 :: 3.172 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 :: 114.426 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.939 CA :: 61.217 CB :: 33.273 CG1 :: 21.681 CG2 :: 21.684 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 :: 8.504 HA :: 4.552 HB :: 2.184 HG11 :: 1.124 HG12 :: 1.124 HG13 :: 1.124 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 120.903 Ave N Shift Values>> N :: 121.02(4.96) 1.Y212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.2 F 0.19 C 0.17 E 0.01 C Shift Assignments>> C :: 176.621 CA :: 61.049 CB :: 38.769 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 :: 9.126 HA :: 4.071 HB2 :: 2.818 HB3 :: 3.081 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 6.774 HE2 :: 6.774 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 :: 125.363 Ave N Shift Values>> N :: 120.79(4.69) 1.N213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 N 0.3 E 0.1 M 0.1 Y 0.05 K 0.03 F 0.02 D 0.01 Q 0.01 HN Overlap>> 1.V257 1.V257 C Shift Assignments>> CA :: 53.054 CB :: 36.235 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 :: 8.496 HA :: 4.590 HB2 :: 2.135 HB3 :: 3.109 HD21 :: 7.115 HD22 :: 7.533 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 :: 117.808 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.493 CA :: 65.274 CB :: 31.641 CG :: 27.373 CD :: 51.280 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 :: 4.307 HB2 :: 2.033 HB3 :: 2.431 HG2 :: 2.153 HG3 :: 2.216 HD2 :: 4.083 HD3 :: 4.083 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.E215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 H 0.09 K 0.09 R 0.09 M 0.08 C 0.08 E 0.07 W 0.07 L 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 N 0.01 C Shift Assignments>> C :: 177.009 CA :: 56.603 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 :: 9.800 HA :: 4.270 HB2 :: 2.087 HB3 :: 2.087 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 :: 116.593 Ave N Shift Values>> N :: 120.68(3.68) 1.G216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.919 CA :: 44.735 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.709 HA2 :: 3.505 HA3 :: 4.131 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.371 Ave N Shift Values>> N :: 109.91(4.29) 1.L217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.3 C 0.28 G 0.03 K 0.02 C Shift Assignments>> C :: 178.471 CA :: 55.274 CB :: 42.788 CG :: 28.222 CD1 :: 25.694 CD2 :: 26.263 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 :: 8.280 HA :: 4.051 HB2 :: 1.981 HB3 :: 1.504 HG :: 1.789 HD11 :: 1.074 HD12 :: 1.074 HD13 :: 1.074 HD21 :: 1.097 HD22 :: 1.097 HD23 :: 1.097 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 :: 119.442 Ave N Shift Values>> N :: 121.98(4.07) 1.R218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 S 0.1 W 0.09 C 0.09 E 0.08 R 0.06 K 0.06 Q 0.05 H 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 175.548 CA :: 58.250 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 :: 9.333 HA :: 3.825 HB2 :: 1.772 HB3 :: 1.772 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 :: 121.847 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.Y219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.23 D 0.12 C 0.1 K 0.09 F 0.04 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> CA :: 54.702 CB :: 43.086 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 :: 6.993 HA :: 4.707 HB2 :: 1.924 HB3 :: 3.204 HD1 :: 6.737 HD2 :: 6.737 HE1 :: 6.460 HE2 :: 6.460 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 :: 109.979 Ave N Shift Values>> N :: 120.79(4.69) 1.E220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 I 0.06 E 0.06 R 0.05 V 0.04 T 0.04 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 175.061 CA :: 59.283 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 :: 4.103 HB2 :: 2.334 HB3 :: 2.334 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.N221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 N 0.34 P 0.07 G 0.03 M 0.03 Y 0.01 D 0.01 C Shift Assignments>> C :: 176.139 CA :: 49.339 CB :: 36.289 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 :: 7.596 HA :: 5.235 HB2 :: 2.872 HB3 :: 3.098 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 :: 110.662 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.27 E 0.08 P 0.01 K 0.01 C Shift Assignments>> CA :: 62.390 CB :: 28.210 CG :: 36.289 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 :: 7.392 HA :: 3.707 HB2 :: 2.004 HB3 :: 2.559 HG2 :: 2.235 HG3 :: 2.493 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 :: 118.084 Ave N Shift Values>> N :: 120.68(3.68) 1.P223 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.53 C 0.37 G 0.08 C Shift Assignments>> C :: 178.372 CA :: 67.033 CB :: 29.763 CG :: 28.210 CD :: 49.029 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 :: 3.748 HB2 :: -0.081(S) HB3 :: 0.795 HG2 :: 0.811 HG3 :: 1.280 HD2 :: 3.313 HD3 :: 3.364 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.V224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 178.177 CA :: 65.524 CB :: 31.343 CG1 :: 23.901 CG2 :: 22.283 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 :: 6.714 HA :: 3.937 HB :: 2.450 HG11 :: 1.396 HG12 :: 1.396 HG13 :: 1.396 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 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 :: 107.940 Ave N Shift Values>> N :: 121.02(4.96) 1.R225 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.07 G 0.07 HN Overlap>> 1.I186 1.I186 C Shift Assignments>> C :: 178.178 CA :: 59.901 CB :: 30.074 CG :: 26.967 CD :: 43.125 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 :: 7.255 HA :: 3.662 HB2 :: 1.086 HB3 :: 1.627 HG2 :: -0.198(S) HG3 :: 0.807 HD2 :: 1.616(S) HD3 :: 2.177(S) 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 :: 119.858 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HB3 : 0.9951) 1.H226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.14 W 0.12 R 0.1 K 0.08 E 0.07 Q 0.06 H 0.05 P 0.03 L 0.01 V 0.01 HN Overlap>> 1.H74 1.L200 1.H74 1.L200 C Shift Assignments>> C :: 176.619 CA :: 60.235 CB :: 28.217 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 :: 8.179 HA :: 3.827 HB2 :: 2.869 HB3 :: 3.442 HE1 :: 7.423 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 :: 117.412 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K227 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 G 0.23 HN Overlap>> 1.N157 1.N157 C Shift Assignments>> C :: 180.416 CA :: 58.032 CG :: 31.317(A) CD :: 28.210 CE :: 44.368 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 :: 7.865 HA :: 3.847 HB2 :: 1.387 HB3 :: 1.387 HG2 :: 1.135 HG3 :: 1.135 HD2 :: 1.754 HD3 :: 1.955 HE2 :: 2.838 HE3 :: 3.331 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 :: 117.678 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V228 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 :: 175.940 CA :: 67.699 CB :: 31.337 CG1 :: 22.888 CG2 :: 26.037 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 :: 7.684 HA :: 3.458 HB :: 2.501 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 1.480 HG22 :: 1.480 HG23 :: 1.480 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 :: 121.444 Ave N Shift Values>> N :: 121.02(4.96) 1.F229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 F 0.16 C 0.16 Y 0.15 E 0.01 C Shift Assignments>> C :: 177.590 CA :: 62.059 CB :: 38.773 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 :: 7.622 HA :: 3.722 HB2 :: 2.822 HB3 :: 3.305 HD1 :: 6.724 HD2 :: 6.724 HE1 :: 7.039 HE2 :: 7.039 HZ :: 7.452 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 :: 120.904 Ave N Shift Values>> N :: 120.69(4.18) 1.D230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.18 Y 0.14 L 0.14 C 0.13 D 0.08 R 0.05 I 0.03 C Shift Assignments>> C :: 176.911 CA :: 57.464 CB :: 41.260 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 :: 8.863 HA :: 4.069 HB2 :: 2.246 HB3 :: 2.756 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 :: 120.507 Ave N Shift Values>> N :: 120.73(4.2) 1.L231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.34 R 0.06 C Shift Assignments>> C :: 177.592 CA :: 58.339 CB :: 40.639 CG :: 27.658 CD1 :: 22.620 CD2 :: 26.008 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 :: 7.311 HA :: 4.083 HB2 :: 1.693 HB3 :: 1.947 HG :: 1.377 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 120.777 Ave N Shift Values>> N :: 121.98(4.07) 1.I232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.371 CA :: 66.131 CB :: 38.202 CG1 :: 31.636 CG2 :: 17.060 CD1 :: 15.142 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 :: 7.836 HA :: 3.334 HB :: 1.527 HG12 :: 0.528 HG13 :: 1.651 HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 HD11 :: 0.177 HD12 :: 0.177 HD13 :: 0.177 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 :: 119.024 Ave N Shift Values>> N :: 121.6(4.72) 1.G233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.26 P 0.08 A 0.04 L 0.02 N 0.01 HN Overlap>> 1.G198 1.G198 C Shift Assignments>> C :: 175.057 CA :: 47.715 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.430 HA2 :: 3.470 HA3 :: 4.256 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.452 Ave N Shift Values>> N :: 109.91(4.29) 1.D234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.16 L 0.1 D 0.09 K 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 178.957 CA :: 57.442 CB :: 40.405 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 :: 8.185 HA :: 4.463 HB2 :: 2.534 HB3 :: 2.306 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 :: 122.924 Ave N Shift Values>> N :: 120.73(4.2) 1.L235 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.31 G 0.11 A 0.03 R 0.02 C Shift Assignments>> C :: 178.274 CA :: 56.777 CB :: 43.435 CG :: 25.986 CD1 :: 24.185 CD2 :: 21.987 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 :: 8.756 HA :: 3.823 HB2 :: 1.201 HB3 :: 1.847 HG :: 1.592 HD11 :: -0.153(S) HD12 :: -0.153(S) HD13 :: -0.153(S) HD21 :: 0.303 HD22 :: 0.303 HD23 :: 0.303 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 :: 116.442 Ave N Shift Values>> N :: 121.98(4.07) 1.Y236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.27 E 0.08 Y 0.07 M 0.05 D 0.04 F 0.04 K 0.01 C Shift Assignments>> C :: 178.076 CA :: 53.351 CB :: 36.978 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 :: 7.430 HA :: 4.568 HB2 :: 2.742 HB3 :: 2.985 HD1 :: 6.867 HD2 :: 6.867 HE1 :: 6.171 HE2 :: 6.171 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 :: 116.600 Ave N Shift Values>> N :: 120.79(4.69) 1.L237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.38 A 0.09 R 0.04 HN Overlap>> 1.K208 1.K208 1.T35 1.T35 C Shift Assignments>> C :: 178.081 CA :: 55.573 CB :: 40.950 CG :: 26.755 CD1 :: 26.722 CD2 :: 21.984 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 :: 7.650 HA :: 4.382 HB2 :: 1.168 HB3 :: 2.151 HG :: 1.767 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.447 HD22 :: 0.447 HD23 :: 0.447 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 :: 117.798 Ave N Shift Values>> N :: 121.98(4.07) 1.L238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.07 HN Overlap>> 1.V260 1.V260 C Shift Assignments>> C :: 179.345 CA :: 57.325 CB :: 41.887 CG :: 27.640 CD1 :: 24.497 CD2 :: 23.507 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 :: 7.941 HA :: 4.141 HB2 :: 1.828 HB3 :: 1.117 HG :: 1.557 HD11 :: 0.468 HD12 :: 0.468 HD13 :: 0.468 HD21 :: 0.427 HD22 :: 0.427 HD23 :: 0.427 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 :: 119.793 Ave N Shift Values>> N :: 121.98(4.07) 1.G239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 172.529 CA :: 45.062 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.229 HA2 :: 3.770 HA3 :: 4.215 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.521 Ave N Shift Values>> N :: 109.91(4.29) 1.S240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> CA :: 55.852 CB :: 66.122 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.418 HA :: 5.019 HB2 :: 3.684 HB3 :: 4.167 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 :: 113.490 Ave N Shift Values>> N :: 116.3(3.95) 1.P241 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 :: 175.061 CA :: 63.000 CB :: 31.006 CG :: 27.899 CD :: 50.264 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 :: 4.659 HB2 :: 2.298 HB3 :: 2.633 HG2 :: 1.881 HG3 :: 1.974 HD2 :: 3.397 HD3 :: 4.023 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.V242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 I 0.01 C Shift Assignments>> C :: 176.035 CA :: 61.798 CB :: 35.650 CG1 :: 22.288 CG2 :: 24.163 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 :: 10.360 HA :: 5.295 HB :: 2.170 HG11 :: 1.232 HG12 :: 1.232 HG13 :: 1.232 HG21 :: 1.310 HG22 :: 1.310 HG23 :: 1.310 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 :: 127.292 Ave N Shift Values>> N :: 121.02(4.96) 1.K243 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 K 0.3 C 0.27 R 0.08 I 0.01 C Shift Assignments>> C :: 175.453 CA :: 53.707 CD :: 28.210 CE :: 40.950 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 :: 8.963 HA :: 4.559 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.105 HG3 :: 1.105 HD2 :: 1.247 HD3 :: 1.664 HE2 :: 1.702(S) HE3 :: 2.439 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 :: 121.584 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) 1.G244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 168.513 CA :: 45.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.257 HA2 :: 3.749 HA3 :: 4.054 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.193 Ave N Shift Values>> N :: 109.91(4.29) 1.K245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.1 M 0.03 C Shift Assignments>> C :: 175.743 CA :: 54.221 CB :: 34.456 CG :: 24.785 CD :: 29.653 CE :: 41.337 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 :: 8.544 HA :: 5.567 HB2 :: 1.532 HB3 :: 1.532 HG2 :: 1.198 HG3 :: 1.262 HD2 :: 1.551 HD3 :: 1.551 HE2 :: 2.881 HE3 :: 2.881 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 :: 120.519 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.25 C 0.12 K 0.08 F 0.06 G 0.05 D 0.05 Y 0.04 C Shift Assignments>> C :: 175.253 CA :: 56.518 CB :: 43.401 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 :: 9.451 HA :: 5.697 HB2 :: 3.142 HB3 :: 2.891 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 6.996 HE2 :: 6.996 HZ :: 6.888 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 :: 123.749 Ave N Shift Values>> N :: 120.69(4.18) 1.Y247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 K 0.16 L 0.15 Y 0.14 C 0.13 D 0.13 R 0.03 I 0.02 N 0.02 C Shift Assignments>> C :: 172.725 CA :: 56.700 CB :: 41.001 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 :: 9.266 HA :: 5.376 HB2 :: 3.189 HB3 :: 2.759 HD1 :: 6.841 HD2 :: 6.841 HE1 :: 6.677 HE2 :: 6.677 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 :: 125.762 Ave N Shift Values>> N :: 120.79(4.69) 1.S248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 171.359 CA :: 54.633 CB :: 65.188 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.399 HA :: 5.167 HB2 :: 3.597 HB3 :: 3.790 HG :: 5.315 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 :: 121.735 Ave N Shift Values>> N :: 116.3(3.95) 1.F249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 C 0.16 Y 0.15 N 0.15 F 0.15 L 0.09 K 0.02 I 0.01 C Shift Assignments>> C :: 174.672 CA :: 55.253 CB :: 39.684 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 :: 9.309 HA :: 5.101 HB2 :: 3.143 HB3 :: 3.053 HD1 :: 7.200 HD2 :: 7.200 HE1 :: 7.206 HE2 :: 7.206 HZ :: 8.017 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 :: 127.943 Ave N Shift Values>> N :: 120.69(4.18) 1.R250 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 R 0.25 G 0.19 L 0.18 K 0.03 C Shift Assignments>> C :: 176.229 CA :: 57.767 CB :: 27.899 CG :: 26.967 CD :: 44.094 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 :: 7.837 HA :: 3.699 HB2 :: 1.696 HB3 :: 1.963 HG2 :: -0.021(S) HG3 :: 1.100 HD2 :: 2.716 HD3 :: 2.916 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 :: 113.507 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.G251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 173.984 CA :: 46.544 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.926 HA2 :: 3.810 HA3 :: 4.041 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.350 Ave N Shift Values>> N :: 109.91(4.29) 1.G252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.911 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.961 HA2 :: 4.218 HA3 :: 4.069 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.617 Ave N Shift Values>> N :: 109.91(4.29) 1.H253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.2 C 0.14 R 0.13 W 0.11 K 0.1 Q 0.08 E 0.08 H 0.06 L 0.03 P 0.01 C Shift Assignments>> CA :: 59.593 CB :: 27.899 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 :: 4.389 HB2 :: 3.172 HB3 :: 3.429 HD2 :: 7.181 HE1 :: 7.523 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.S254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.620 CA :: 61.743 CB :: 62.140 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.143 HB2 :: 3.702 HB3 :: 3.702 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) 1.L255 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.3 R 0.26 K 0.03 G 0.01 C Shift Assignments>> C :: 177.496 CA :: 57.021 CB :: 42.192 CG :: 26.587 CD1 :: 24.229 CD2 :: 27.614 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 :: 7.825 HA :: 4.118 HB2 :: 1.568 HB3 :: 1.731 HG :: 1.719 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 125.094 Ave N Shift Values>> N :: 121.98(4.07) 1.N256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.18 N 0.16 F 0.12 E 0.1 D 0.07 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.788 CA :: 55.586 CB :: 37.892 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 :: 8.551 HA :: 4.118 HB2 :: 3.308 HB3 :: 2.392 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 :: 119.163 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V257 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.V16 1.N213 1.V16 1.N213 C Shift Assignments>> C :: 177.106 CA :: 66.427 CB :: 31.292 CG1 :: 21.984 CG2 :: 24.494 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 :: 8.441 HA :: 3.548 HB :: 2.135 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 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 :: 117.797 Ave N Shift Values>> N :: 121.02(4.96) 1.K258 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.18 M 0.01 C Shift Assignments>> C :: 179.055 CA :: 60.470 CB :: 32.227 CG :: 25.688 CD :: 29.385 CE :: 41.907 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 :: 8.003 HA :: 3.941 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 1.373 HG3 :: 1.606 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.947 HE3 :: 2.947 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 :: 123.334 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L259 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.37 C Shift Assignments>> C :: 178.081 CA :: 58.380 CB :: 40.017 CG :: 26.730 CD1 :: 23.586 CD2 :: 26.313 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 :: 8.255 HA :: 3.985 HB2 :: 1.598 HB3 :: 2.357 HG :: 1.634 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 HD21 :: 1.125 HD22 :: 1.125 HD23 :: 1.125 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 :: 119.159 Ave N Shift Values>> N :: 121.98(4.07) 1.V260 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.L238 1.L238 C Shift Assignments>> C :: 176.716 CA :: 67.370 CB :: 31.332 CG1 :: 21.075 CG2 :: 23.593 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 :: 7.991 HA :: 3.264 HB :: 2.298 HG11 :: 0.674 HG12 :: 0.674 HG13 :: 0.674 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 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 :: 119.841 Ave N Shift Values>> N :: 121.02(4.96) 1.K261 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.27 K 0.26 G 0.01 C Shift Assignments>> C :: 177.204 CA :: 60.178 CB :: 32.249 CD :: 26.967 CE :: 41.899 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 :: 8.411 HA :: 3.221 HB2 :: 1.665 HB3 :: 1.845 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 1.369 HD3 :: 1.482 HE2 :: 2.762 HE3 :: 3.048 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 :: 117.401 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E262 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 K 0.12 I 0.12 Q 0.08 M 0.03 HN Overlap>> 1.I189 1.I189 C Shift Assignments>> C :: 179.836 CA :: 58.980 CB :: 29.400 CG :: 35.655 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 :: 8.001 HA :: 4.120 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.239 HG3 :: 2.447 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 :: 119.589 Ave N Shift Values>> N :: 120.68(3.68) 1.L263 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.13 K 0.01 C Shift Assignments>> C :: 179.447 CA :: 57.809 CB :: 41.888 CG :: 27.325 CD1 :: 26.001 CD2 :: 24.504 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 :: 8.755 HA :: 4.089 HB2 :: 2.068 HB3 :: 1.539 HG :: 1.894 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 1.144 HD22 :: 1.144 HD23 :: 1.144 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 :: 121.060 Ave N Shift Values>> N :: 121.98(4.07) 1.A264 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 179.834 CA :: 54.345 CB :: 18.263 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.380 HA :: 4.149 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.100 Ave N Shift Values>> N :: 123.23(3.7) 1.K265 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 :: 178.376 CA :: 58.717 CB :: 32.788 CG :: 24.809 CD :: 29.368 CE :: 41.650 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 :: 7.530 HA :: 4.141 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 1.510 HG3 :: 1.688 HD2 :: 1.753 HD3 :: 1.753 HE2 :: 2.960 HE3 :: 2.960 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 :: 117.235 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K266 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.03 C Shift Assignments>> C :: 178.080 CA :: 56.824 CB :: 32.503 CG :: 24.809 CD :: 28.806 CE :: 41.622 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 :: 7.797 HA :: 4.277 HB2 :: 2.033 HB3 :: 2.087 HG2 :: 1.606 HG3 :: 1.606 HD2 :: 1.746 HD3 :: 1.746 HE2 :: 3.003 HE3 :: 3.003 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 :: 117.966 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q267 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.18 M 0.05 R 0.02 I 0.01 C Shift Assignments>> C :: 175.937 CA :: 56.451 CB :: 29.170 CG :: 34.498 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 :: 7.798 HA :: 4.378 HB2 :: 2.137 HB3 :: 2.275 HG2 :: 2.412 HG3 :: 2.483 HE21 :: 6.935 HE22 :: 7.330 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 :: 118.634 NE2 :: 112.012 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K268 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.17 M 0.04 C Shift Assignments>> C :: 176.812 CA :: 56.808 CB :: 32.500 CG :: 24.500 CD :: 29.370 CE :: 41.900 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 :: 8.124 HA :: 4.315 HB2 :: 1.840 HB3 :: 1.840 HG2 :: 1.498 HG3 :: 1.498 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.960 HE3 :: 2.960 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 :: 121.334 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L269 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.787 CA :: 55.288 CB :: 42.477 CG :: 27.089 CD1 :: 24.809 CD2 :: 23.384 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 :: 8.183 HA :: 4.476 HB2 :: 1.687 HB3 :: 1.734 HG :: 1.709 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 122.216 Ave N Shift Values>> N :: 121.98(4.07) 1.T270 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 :: 172.918 CA :: 61.506 CB :: 69.634 CG2 :: 21.374 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 :: 8.048 HA :: 4.382 HB :: 4.272 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 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 :: 114.411 Ave N Shift Values>> N :: 115.7(5.05) 1.R271 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 C 0.07 K 0.07 R 0.07 D 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 175.889 CA :: 55.670 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 :: 8.122 HA :: 4.394 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 :: 122.410 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.D272 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.1 N 0.1 A 0.09 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 Y 0.03 E 0.03 F 0.02 C Shift Assignments>> C :: 175.544 CA :: 54.481 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 :: 8.240 HA :: 4.593 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 :: 121.443 Ave N Shift Values>> N :: 120.73(4.2) 1.L273 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.22 A 0.06 R 0.03 C Shift Assignments>> CA :: 53.014 CB :: 41.622 CG :: 27.089 CD1 :: 23.099 CD2 :: 25.094 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 :: 7.939 HA :: 4.658 HB2 :: 1.632 HB3 :: 1.632 HG :: 1.717 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 HD21 :: 0.962 HD22 :: 0.962 HD23 :: 0.962 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 :: 123.471 Ave N Shift Values>> N :: 121.98(4.07) 1.P274 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> CA :: 64.704 CB :: 31.933 CG :: 27.089 CD :: 50.171 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 :: 4.247 HB2 :: 1.906 HB3 :: 2.226 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.643 HD3 :: 3.779 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) 2.C901 Overall Status: Residue type C90 not supported. ########################################################################### Overall Results: #Consistent: 250 #Clerical: 0 #Suspicious: 20 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 268 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 269 #Suspicious: 5 C Shift Results: #Consistent:1083 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 H Shift Results: #Consistent:1972 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 3 N Shift Results: #Consistent: 264 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K5 CB = 39.396(S), Expected = 32.83, Std = 1.8800, ChiSquare = 4.7843e-04 1.E14 SRO Rule Break>> CG > CB : 0.99165623696287 1.T20 H = 10.550(S), Expected = 8.27, Std = 0.6200, ChiSquare = 2.3561e-04 1.E31 HG3 = 1.026(A), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6990e-10 1.P47 HD2 = 1.369(S), Expected = 3.64, Std = 0.3600, ChiSquare = 2.8206e-10 1.P47 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P47 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.R49 CB = 36.853(S), Expected = 30.66, Std = 1.7700, ChiSquare = 4.6723e-04 1.E51 HB2 = 1.205(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.4737e-04 1.K65 HG2 = 0.339(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.1547e-04 1.H74 Typing: Mistyped 1.H74 CB = 66.430(A), Expected = 29.95, Std = 2.1500, ChiSquare = 1.4303e-64 1.H74 SRO Rule Break>> CA > CB : 1 1.L99 CB = 35.951(S), Expected = 42.37, Std = 1.8600, ChiSquare = 5.5836e-04 1.E108 HB3 = 1.072(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.5685e-05 1.K163 HA = 5.826(S), Expected = 4.28, Std = 0.4500, ChiSquare = 5.9134e-04 1.I174 N = 104.895(S), Expected = 121.60, Std = 4.7200, ChiSquare = 4.0135e-04 1.R178 H = 10.616(S), Expected = 8.24, Std = 0.6000, ChiSquare = 7.4950e-05 1.A181 HB1 = 0.371(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4370e-05 1.A181 HB2 = 0.371(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4370e-05 1.A181 HB3 = 0.371(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4370e-05 1.F182 HB2 = 1.062(S), Expected = 2.99, Std = 0.3700, ChiSquare = 1.8802e-07 1.F182 HB3 = 1.413(S), Expected = 2.97, Std = 0.3800, ChiSquare = 4.1787e-05 1.G207 HA3 = 5.546(S), Expected = 3.93, Std = 0.4000, ChiSquare = 5.3451e-05 1.K208 HE2 = 4.345(A), Expected = 2.93, Std = 0.2000, ChiSquare = 1.4945e-12 1.K208 HE3 = 4.345(A), Expected = 2.93, Std = 0.2000, ChiSquare = 1.4945e-12 1.P223 HB2 = -0.081(S), Expected = 2.05, Std = 0.3900, ChiSquare = 4.6525e-08 1.R225 HG2 = -0.198(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.5432e-11 1.R225 HD2 = 1.616(S), Expected = 3.13, Std = 0.2300, ChiSquare = 4.6226e-11 1.R225 HD3 = 2.177(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.4788e-05 1.R225 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.K227 Typing: Suspicious 1.K227 CG = 31.317(A), Expected = 24.91, Std = 1.3100, ChiSquare = 1.0041e-06 1.L235 HD11 = -0.153(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2963e-04 1.L235 HD12 = -0.153(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2963e-04 1.L235 HD13 = -0.153(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2963e-04 1.K243 HE2 = 1.702(S), Expected = 2.93, Std = 0.2000, ChiSquare = 8.2521e-10 1.K243 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K243 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.R250 HG2 = -0.021(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.0362e-09