Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I27 1.F140 1.I27 1.F140 C Shift Assignments>> C :: 174.512 CA :: 57.71 CB :: 63.669 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.954 HA :: 4.054 HB2 :: 3.936 HB3 :: 3.938 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.509 Ave N Shift Values>> N :: 116.28(3.52) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 173.513 CA :: 45.135 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.544 HA2 :: 4.011 HA3 :: 4.027 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.74 Ave N Shift Values>> N :: 109.67(3.87) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 172.727 CA :: 45.225 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.193 HA2 :: 3.819 HA3 :: 4.015 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.508 Ave N Shift Values>> N :: 109.67(3.87) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 L 0.41 C 0.11 K 0.01 C Shift Assignments>> C :: 174.568 CA :: 53.378 CB :: 21.914 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.154 HA :: 4.604 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.125 Ave N Shift Values>> N :: 123.23(3.54) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 C 0.34 L 0.28 C Shift Assignments>> C :: 177.985 CA :: 53.835 CB :: 46.751 CG :: 27.201 CD1 :: 25.091 CD2 :: 25.116 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.773 HA :: 5.086 HB2 :: 1.792 HB3 :: 1.963 HG :: 0.996 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 121.86(3.9) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.16 I 0.01 C Shift Assignments>> C :: 179.268 CA :: 62.83 CB :: 32.702 CG1 :: 20.063 CG2 :: 25.444 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.318 HA :: 4.754 HB :: 2.66 HG11 :: 1.215 HG12 :: 1.215 HG13 :: 1.215 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.2 Ave N Shift Values>> N :: 121.14(4.54) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 G 0.17 A 0.15 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 173.138 CA :: 48.457 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.924 HA2 :: 3.474 HA3 :: 3.915 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.323 Ave N Shift Values>> N :: 109.67(3.87) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.88 CA :: 58.21 CB :: 63.038 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.695 HA :: 4.391 HB2 :: 3.964 HB3 :: 4.222 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.452 Ave N Shift Values>> N :: 116.28(3.52) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.287 CA :: 60.408 CB :: 63.711 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.711 HA :: 4.449 HB2 :: 3.73 HB3 :: 3.742 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.972 Ave N Shift Values>> N :: 116.28(3.52) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.24 M 0.14 I 0.01 C Shift Assignments>> C :: 175.878 CA :: 56.558 CB :: 31.87 CG :: 37.756 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.248 HA :: 4.92 HB2 :: 1.975 HB3 :: 2.294 HG2 :: 2.132 HG3 :: 2.614 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.862 Ave N Shift Values>> N :: 120.67(3.48) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.48 A 0.01 HN Overlap>> 1.K88 1.K88 C Shift Assignments>> C :: 173.382 CA :: 58.703 CB :: 41.148 CG1 :: 26.111 CG2 :: 18.031 CD1 :: 13.406 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.053 HA :: 4.937 HB :: 2.021 HG12 :: 1.091 HG13 :: 1.315 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.113 Ave N Shift Values>> N :: 121.46(4.28) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 175.803 CA :: 60.992 CB :: 37.88 CG1 :: 27.674 CG2 :: 18.228 CD1 :: 12.75 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.164 HA :: 4.398 HB :: 2.14 HG12 :: 1.244 HG13 :: 1.704 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.338 Ave N Shift Values>> N :: 121.46(4.28) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 HN Overlap>> 1.H72 1.N33 1.R90 1.H72 1.N33 1.R90 C Shift Assignments>> C :: 175.372 CA :: 59.343 CB :: 71.354 CG2 :: 21.907 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.95 HA :: 5.987 HB :: 4.667 HG21 :: 1.17 HG22 :: 1.17 HG23 :: 1.17 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 115.42(4.75) 1.R14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.42 K 0.09 G 0.03 C Shift Assignments>> C :: 177.99 CA :: 58.764 CB :: 30.897 CG :: 26.607 CD :: 43.037 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.284 HA :: 3.252 HB2 :: 0.448(S) HB3 :: 1.438 HG2 :: 0.296(S) HG3 :: 0.851 HD2 :: 1.918(S) HD3 :: 2.19(S) HE :: 5.934 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.783 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.15 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.664 CA :: 53.85 CB :: 38.594 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.885 HA :: 4.527 HB2 :: 2.365 HB3 :: 2.378 HD21 :: 6.926 HD22 :: 8.275 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.047 ND2 :: 112.156 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.23 C 0.19 I 0.07 N 0.05 D 0.05 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 175.516 CA :: 57.027 CB :: 38.464 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.632 HA :: 4.687 HB2 :: 2.88 HB3 :: 3.232 HD1 :: 6.817 HD2 :: 7.121 HE1 :: 7.113 HE2 :: 7.119 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.851 Ave N Shift Values>> N :: 120.52(4.2) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 175.506 CA :: 45.058 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.22 HA2 :: 4.003 HA3 :: 4.234 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.691 Ave N Shift Values>> N :: 109.67(3.87) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.44 R 0.08 C Shift Assignments>> C :: 175.837 CA :: 57.244 CB :: 32.399 CG :: 25.209 CD :: 29.251 CE :: 41.718 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.898 HA :: 5.013 HB2 :: 1.841 HB3 :: 1.856 HG2 :: 1.483 HG3 :: 1.487 HD2 :: 1.582 HD3 :: 1.739 HE2 :: 3.002 HE3 :: 3.002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.937 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 HN Overlap>> 1.I12 1.I12 C Shift Assignments>> C :: 173.297 CA :: 59.939 CB :: 69.812 CG2 :: 19.648 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.155 HA :: 4.916 HB :: 4.089 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.45 Ave N Shift Values>> N :: 115.42(4.75) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 176.615 CA :: 60.227 CB :: 71.16 CG2 :: 21.919 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.475 HA :: 5.421 HB :: 5.103 HG21 :: 1.293 HG22 :: 1.293 HG23 :: 1.293 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.015 Ave N Shift Values>> N :: 115.42(4.75) 1.I21 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 :: 175.921 CA :: 65.549 CB :: 38.165 CG1 :: 29.615 CG2 :: 17.887 CD1 :: 13.835 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.78 HA :: 3.668 HB :: 1.666 HG12 :: 0.956 HG13 :: 1.585 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.727 Ave N Shift Values>> N :: 121.46(4.28) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.45 R 0.04 C Shift Assignments>> C :: 178.045 CA :: 60.008 CB :: 33.042 CG :: 24.744 CD :: 29.686 CE :: 41.888 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.369 HA :: 3.113 HB2 :: 1.194 HB3 :: 1.473 HG2 :: 1.2 HG3 :: 1.205 HD2 :: 1.491 HD3 :: 1.581 HE2 :: 2.721 HE3 :: 3.029 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.238 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.24 E 0.24 M 0.01 K 0.01 C Shift Assignments>> C :: 179.215 CA :: 59.226 CB :: 29.886 CG :: 37.729 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.333 HA :: 3.983 HB2 :: 2.021 HB3 :: 2.21 HG2 :: 2.147 HG3 :: 2.213 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.014 Ave N Shift Values>> N :: 120.67(3.48) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 176.368 CA :: 66.088 CB :: 30.879 CG1 :: 21.101 CG2 :: 25.409 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.277 HA :: 3.649 HB :: 2.061 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.613 Ave N Shift Values>> N :: 121.14(4.54) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.I115 1.F28 1.I115 1.F28 C Shift Assignments>> C :: 177.836 CA :: 66.787 CB :: 31.121 CG1 :: 21.479 CG2 :: 23.444 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.953 HA :: 3.374 HB :: 2.221 HG11 :: 1.049 HG12 :: 1.049 HG13 :: 1.049 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.426 Ave N Shift Values>> N :: 121.14(4.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.14 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.564 CA :: 58.956 CB :: 29.468 CG :: 36.318 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.243 HA :: 4.174 HB2 :: 2.141 HB3 :: 2.173 HG2 :: 2.297 HG3 :: 2.499 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.026 Ave N Shift Values>> N :: 120.67(3.48) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.F140 1.S1 1.F140 1.S1 C Shift Assignments>> C :: 176.585 CA :: 62.957 CB :: 38.456 CG1 :: 27.558 CG2 :: 17.879 CD1 :: 13.439 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.961 HA :: 4.002 HB :: 1.731 HG12 :: 1.226 HG13 :: 1.373 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.589 Ave N Shift Values>> N :: 121.46(4.28) 1.F28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.3 F 0.28 I 0.17 C 0.16 L 0.02 D 0.02 HN Overlap>> 1.V25 1.I115 1.V25 1.I115 C Shift Assignments>> C :: 175.935 CA :: 58.906 CB :: 39.361 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.968 HA :: 4.365 HB2 :: 3.047 HB3 :: 3.112 HD1 :: 6.999 HD2 :: 8.38(A) HE1 :: 7.08 HE2 :: 7.089 HZ :: 7.085 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.468 Ave N Shift Values>> N :: 120.45(4.18) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.21 F 0.14 D 0.13 Y 0.1 C 0.06 R 0.06 N 0.01 I 0.01 HN Overlap>> 1.E150 1.R121 1.E150 1.R121 C Shift Assignments>> C :: 176.542 CA :: 56.589 CB :: 41.714 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4 HA :: 4.313 HB2 :: 2.641 HB3 :: 2.811 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.421 Ave N Shift Values>> N :: 120.65(3.86) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.25 F 0.09 L 0.08 Y 0.08 C 0.08 HN Overlap>> 1.E127 1.I132 1.E127 1.I132 C Shift Assignments>> C :: 175.749 CA :: 53.576 CB :: 39.426 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.843 HA :: 3.926 HB2 :: 2.715 HB3 :: 2.858 HD21 :: 6.819 HD22 :: 7.715 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.976 ND2 :: 113.283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.I108 1.N126 1.I108 1.N126 C Shift Assignments>> C :: 176.255 CA :: 54.413 CB :: 41.204 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.191 HA :: 4.626 HB2 :: 2.643 HB3 :: 2.76 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.811 Ave N Shift Values>> N :: 120.65(3.86) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.45 R 0.07 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 176.324 CA :: 57.413 CB :: 32.746 CG :: 23.933 CD :: 29.227 CE :: 41.749 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.213 HA :: 3.797 HB2 :: 1.93 HB3 :: 1.943 HG2 :: 1.479 HG3 :: 1.5 HD2 :: 1.644 HD3 :: 1.754 HE2 :: 3.006 HE3 :: 3.04 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.722 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.18 C 0.08 F 0.05 Y 0.05 L 0.04 HN Overlap>> 1.H72 1.H72 1.R90 1.T13 1.R90 1.T13 C Shift Assignments>> C :: 173.543 CA :: 52.515 CB :: 38.917 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.955 HA :: 5.056 HB2 :: 2.747 HB3 :: 3.015 HD21 :: 7.125 HD22 :: 7.317 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.233 ND2 :: 110.147 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.A61 1.A61 C Shift Assignments>> C :: 175.136 CA :: 61.034 CB :: 40.209 CG1 :: 27.569 CG2 :: 18.009 CD1 :: 15.2 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.742 HA :: 4.556 HB :: 1.761 HG12 :: 1.274 HG13 :: 1.886 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 HD11 :: 1.031 HD12 :: 1.031 HD13 :: 1.031 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.306 Ave N Shift Values>> N :: 121.46(4.28) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.29 Q 0.14 E 0.02 C Shift Assignments>> C :: 175.245 CA :: 54.042 CB :: 32.323 CG :: 33.67 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.473 HA :: 5.276 HB2 :: 1.765 HB3 :: 1.947 HG2 :: 2.062 HG3 :: 2.456 HE21 :: 6.652 HE22 :: 7.461 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.799 NE2 :: 110.327 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.12 A 0.04 C Shift Assignments>> C :: 175.279 CA :: 57.727 CB :: 36.061 CG1 :: 20.736 CG2 :: 22.52 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.466 HA :: 5.911 HB :: 2.288 HG11 :: 1.095 HG12 :: 1.095 HG13 :: 1.095 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.866 Ave N Shift Values>> N :: 121.14(4.54) 1.L37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 L 0.39 R 0.07 G 0.03 A 0.01 C Shift Assignments>> C :: 176.32 CA :: 57.513 CB :: 42.666 CG :: 26.047 CD1 :: 22.404 CD2 :: 25.945 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.869 HA :: 3.716 HB2 :: 1.06 HB3 :: 2.132 HG :: 0.406(S) HD11 :: -0.298(S) HD12 :: -0.298(S) HD13 :: -0.298(S) HD21 :: 0.379 HD22 :: 0.379 HD23 :: 0.379 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.016 Ave N Shift Values>> N :: 121.86(3.9) 1.A38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> L 0.52 A 0.3 C 0.12 K 0.03 C Shift Assignments>> C :: 175.136 CA :: 52.624 CB :: 22.548 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.851 HA :: 4.298 HB1 :: 1.666 HB2 :: 1.666 HB3 :: 1.666 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 135.216(S) Ave N Shift Values>> N :: 123.23(3.54) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.11 C 0.09 F 0.01 C Shift Assignments>> C :: 173.156 CA :: 57.586 CB :: 45.99 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.155 HA :: 4.957 HB2 :: 2.409 HB3 :: 2.445 HD1 :: 6.57 HD2 :: 7.104 HE1 :: 6.582 HE2 :: 7.118 HZ :: 7.108 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.257 Ave N Shift Values>> N :: 120.45(4.18) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.1 D 0.08 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 175.597 CA :: 51.667 CB :: 38.07 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.54 HA :: 4.689 HB2 :: 2.395 HB3 :: 3.119 HD21 :: 7.056 HD22 :: 8.02 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.95 ND2 :: 113.811 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.542 CA :: 63.546 CB :: 67.991 CG2 :: 21.894 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.394 HA :: 3.925 HB :: 4.45 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.513 Ave N Shift Values>> N :: 115.42(4.75) 1.H42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.16 C 0.15 E 0.15 R 0.13 H 0.12 Q 0.1 K 0.06 M 0.05 I 0.02 V 0.02 C Shift Assignments>> C :: 177.288 CA :: 58.119 CB :: 30.285 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.531 HA :: 4.621 HB2 :: 3.302 HB3 :: 3.344 HD1 :: 8.582 HD2 :: 7.11 HE1 :: 7.105 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.184 ND1 :: 127.015(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.505 CA :: 60.904 CB :: 69.341 CG2 :: 21.624 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.31 HA :: 4.236 HB :: 4.328 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.226 Ave N Shift Values>> N :: 115.42(4.75) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.19 Y 0.18 N 0.14 C 0.11 L 0.11 I 0.02 C Shift Assignments>> C :: 173.973 CA :: 55.621 CB :: 39.615 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.916 HA :: 4.004 HB2 :: 2.534 HB3 :: 3.134 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.628 Ave N Shift Values>> N :: 120.65(3.86) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 R 0.11 G 0.06 N 0.06 K 0.06 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 173.899 CA :: 51.595 CB :: 42.606 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.77 HA :: 4.998 HB2 :: 2.408 HB3 :: 2.585 HD21 :: 6.911 HD22 :: 7.289 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.886 ND2 :: 113.547 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.206 CA :: 62.584 CB :: 38.613 CG1 :: 29.014 CG2 :: 17.887 CD1 :: 13.552 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.451 HA :: 4.448 HB :: 1.638 HG12 :: 1.135 HG13 :: 1.818 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.122 Ave N Shift Values>> N :: 121.46(4.28) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 M 0.04 E 0.02 C Shift Assignments>> C :: 174.586 CA :: 54.934 CB :: 35.297 CG :: 36.193 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.031 HA :: 4.495 HB2 :: 1.66 HB3 :: 1.888 HG2 :: 2.121 HG3 :: 2.124 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.784 Ave N Shift Values>> N :: 120.67(3.48) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 C 0.12 Q 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 176.618 CA :: 56.339 CB :: 30.509 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.399 HA :: 5.05 HB2 :: 3.104 HB3 :: 3.145 HD1 :: 7.086 HE1 :: 8.849 HE3 :: 7.08 HZ2 :: 7.264 HZ3 :: 6.535 HH2 :: 6.943 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.175 NE1 :: 135.161 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 L 0.24 C 0.22 A 0.17 P 0.05 K 0.02 C Shift Assignments>> C :: 174.919 CA :: 48.926 CB :: 23.53 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.922 HA :: 5.298 HB1 :: 1.582 HB2 :: 1.582 HB3 :: 1.582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.291 Ave N Shift Values>> N :: 123.23(3.54) 1.P50 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 :: 176.713 CA :: 63.224 CB :: 32.805 CG :: 27.919 CD :: 51.129 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.883 HB2 :: 1.939 HB3 :: 2.487 HG2 :: 2.069 HG3 :: 2.248 HD2 :: 3.915 HD3 :: 4.293 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.V24 1.V24 1.K32 1.K32 C Shift Assignments>> C :: 176.201 CA :: 61.812 CB :: 38.593 CG1 :: 28.056 CG2 :: 17.829 CD1 :: 13.97 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.292 HA :: 4.318 HB :: 1.662 HG12 :: 0.695 HG13 :: 1.654 HG21 :: 0.314 HG22 :: 0.314 HG23 :: 0.314 HD11 :: 0.518 HD12 :: 0.518 HD13 :: 0.518 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.695 Ave N Shift Values>> N :: 121.46(4.28) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.39 R 0.08 C Shift Assignments>> C :: 175.747 CA :: 55.268 CB :: 33.734 CG :: 24.094 CD :: 28.185 CE :: 41.604 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.77 HA :: 4.595 HB2 :: 1.42 HB3 :: 1.911 HG2 :: 1.372 HG3 :: 1.469 HD2 :: 1.652 HD3 :: 1.651 HE2 :: 2.967 HE3 :: 2.993 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.402 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 L 0.3 C 0.09 C Shift Assignments>> C :: 174.381 CA :: 52.199 CB :: 21.946 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.29 HA :: 4.312 HB1 :: 1.301 HB2 :: 1.301 HB3 :: 1.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.859 Ave N Shift Values>> N :: 123.23(3.54) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.23 C 0.08 C Shift Assignments>> C :: 174.704 CA :: 51.943 CB :: 21.781 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.128 HA :: 4.992 HB1 :: 0.943 HB2 :: 0.943 HB3 :: 0.943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.342 Ave N Shift Values>> N :: 123.23(3.54) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.35 Q 0.1 K 0.01 C Shift Assignments>> C :: 173.814 CA :: 55.231 CB :: 32.214 CG :: 32.36 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.653 HA :: 4.832 HB2 :: 1.984 HB3 :: 1.993 HG2 :: 2.23 HG3 :: 2.251 HE21 :: 6.737 HE22 :: 7.743 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.168 NE2 :: 112.004 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.05 C Shift Assignments>> C :: 176.643 CA :: 56.795 CB :: 41.857 CG :: 27.643 CD1 :: 24.721 CD2 :: 25.063 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.708 HA :: 3.956 HB2 :: 1.467 HB3 :: 1.647 HG :: 0.977 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.99 Ave N Shift Values>> N :: 121.86(3.9) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.526 CA :: 62.445 CB :: 69.59 CG2 :: 23.186 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.73 HA :: 4.447 HB :: 3.947 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.602 Ave N Shift Values>> N :: 115.42(4.75) 1.R58 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 C 0.3 G 0.29 K 0.02 C Shift Assignments>> C :: 173.195 CA :: 53.365 CB :: 31.57 CG :: 26.292 CD :: 44.02 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.193 HA :: 4.873 HB2 :: 1.719 HB3 :: 1.782 HG2 :: 1.565 HG3 :: 1.57 HD2 :: 3.064 HD3 :: 3.242 HE :: 4.865(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.841 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HE > HA : 0.9911) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 176.755 CA :: 62.311 CB :: 32.311 CG :: 27.069 CD :: 51.191 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.538 HB2 :: 1.875 HB3 :: 2.217 HG2 :: 1.89 HG3 :: 2.063 HD2 :: 3.604 HD3 :: 3.733 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.13 D 0.11 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.02 C Shift Assignments>> C :: 173.508 CA :: 54.01 CB :: 38.207 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.339 HA :: 3.958 HB2 :: 2.446 HB3 :: 2.995 HD21 :: 6.812 HD22 :: 7.51 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.881 ND2 :: 111.626 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 L 0.18 C 0.07 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 176.366 CA :: 52.229 CB :: 21.498 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.733 HA :: 4.153 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.405 Ave N Shift Values>> N :: 123.23(3.54) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.41 I 0.06 M 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 176.391 CA :: 56.928 CB :: 30.095 CG :: 37.132 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.681 HA :: 4.24 HB2 :: 1.962 HB3 :: 2.063 HG2 :: 2.356 HG3 :: 2.389 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.628 Ave N Shift Values>> N :: 120.67(3.48) 1.L63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 A 0.02 C Shift Assignments>> C :: 177.437 CA :: 54.046 CB :: 49.475(S) CG :: 26.149 CD1 :: 24.541 CD2 :: 27.987 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.219 HA :: 4.904 HB2 :: 1.11 HB3 :: 1.512 HG :: 1.736 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.965 Ave N Shift Values>> N :: 121.86(3.9) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.1 A 0.01 C Shift Assignments>> C :: 173.706 CA :: 58.693 CB :: 35.503 CG1 :: 19.408 CG2 :: 22.941 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.921 HA :: 5.229 HB :: 1.919 HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.778 Ave N Shift Values>> N :: 121.14(4.54) 1.E65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 L 0.36 I 0.08 E 0.03 C Shift Assignments>> C :: 176.391 CA :: 54.195 CB :: 27.025 CG :: 38.591 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.266 HA :: 5.484 HB2 :: 1.308(S) HB3 :: 1.518 HG2 :: 1.858 HG3 :: 2.012 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.702 Ave N Shift Values>> N :: 120.67(3.48) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.18 R 0.08 G 0.08 A 0.07 C Shift Assignments>> C :: 175.35 CA :: 53.184 CB :: 43.102 CG :: 26.918 CD1 :: 23.106 CD2 :: 25.874 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.457 HA :: 5.175 HB2 :: 1.294 HB3 :: 1.937 HG :: 1.772 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.975 Ave N Shift Values>> N :: 121.86(3.9) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.28 M 0.27 Q 0.01 C Shift Assignments>> C :: 175.339 CA :: 55.312 CB :: 32.168 CG :: 36.595 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.52 HA :: 4.985 HB2 :: 1.985 HB3 :: 2.28 HG2 :: 1.978 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.764 Ave N Shift Values>> N :: 120.67(3.48) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 174.285 CA :: 59.389 CB :: 40.529 CG1 :: 28.198 CG2 :: 18.072 CD1 :: 13.984 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.765 HA :: 4.627 HB :: 1.86 HG12 :: 1.149 HG13 :: 1.314 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.549 Ave N Shift Values>> N :: 121.46(4.28) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.28 D 0.12 G 0.06 F 0.04 K 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 176.4 CA :: 54.745 CB :: 43.406 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.645 HA :: 4.962 HB2 :: 2.478 HB3 :: 2.716 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.723 Ave N Shift Values>> N :: 120.65(3.86) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.25 C Shift Assignments>> C :: 175.245 CA :: 60.191 CB :: 73.71 CG2 :: 22.3 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.751 HA :: 5.004 HB :: 4.264 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.02 Ave N Shift Values>> N :: 115.42(4.75) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 R 0.01 G 0.01 C Shift Assignments>> C :: 176.995 CA :: 57.11 CB :: 42.202 CG :: 26.932 CD1 :: 24.092 CD2 :: 24.243 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.646 HA :: 4.108 HB2 :: 1.284 HB3 :: 1.443 HG :: 1.461 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.414 Ave N Shift Values>> N :: 121.86(3.9) 1.H72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.15 H 0.15 M 0.15 C 0.13 W 0.1 K 0.1 E 0.09 Q 0.08 HN Overlap>> 1.N33 1.R90 1.T13 1.N33 1.R90 1.T13 C Shift Assignments>> C :: 174.657 CA :: 55.471 CB :: 31.252 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.018 HA :: 4.703 HB2 :: 2.521 HB3 :: 3.296 HD1 :: 8.453 HD2 :: 6.809 HE1 :: 7.105 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.25 ND1 :: 126.986(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.3 G 0.2 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.786 CA :: 43.894 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.457 HA2 :: 3.924 HA3 :: 4.584 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.725 Ave N Shift Values>> N :: 109.67(3.87) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.882 CA :: 62.537 CB :: 32.892 CG1 :: 22.001 CG2 :: 22.417 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.447 HA :: 4.783 HB :: 1.981 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.584 Ave N Shift Values>> N :: 121.14(4.54) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.38 R 0.07 G 0.01 C Shift Assignments>> C :: 175.298 CA :: 53.598 CB :: 34.954 CG :: 25.218 CD :: 27.999 CE :: 41.957 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.459 HA :: 4.97 HB2 :: 2.158 HB3 :: 2.161 HG2 :: 1.46 HG3 :: 1.551 HD2 :: 1.753 HD3 :: 1.882 HE2 :: 2.732 HE3 :: 2.798 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.403 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 173.688 CA :: 59.882 CB :: 71.906 CG2 :: 21.853 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.516 HA :: 5.836 HB :: 3.971 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.324 Ave N Shift Values>> N :: 115.42(4.75) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.39 G 0.01 C Shift Assignments>> C :: 172.717 CA :: 59.479 CB :: 42.198 CG1 :: 27.945 CG2 :: 16.856 CD1 :: 14.657 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.365 HA :: 4.761 HB :: 1.813 HG12 :: 1.647 HG13 :: 1.658 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.832 Ave N Shift Values>> N :: 121.46(4.28) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.33 G 0.16 K 0.08 C Shift Assignments>> C :: 173.951 CA :: 55.305 CB :: 33.095 CG :: 28.01 CD :: 43.828 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.052 HA :: 5.79 HB2 :: 1.577 HB3 :: 1.944 HG2 :: 1.534 HG3 :: 1.868 HD2 :: 3.159 HD3 :: 3.332 HE :: 5.794 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.8 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.17 Q 0.16 K 0.15 H 0.08 R 0.07 W 0.04 E 0.02 C Shift Assignments>> C :: 172.527 CA :: 53.919 CB :: 33.158 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.918 HA :: 5.414 HB2 :: 2.483 HB3 :: 3.361 HG :: 3.738 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.136 Ave N Shift Values>> N :: 120.17(4.64) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.28 S 0.04 C Shift Assignments>> C :: 175.14 CA :: 61.289 CB :: 67.601 CG2 :: 23.858 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.575 HA :: 5.078 HB :: 4.739 HG21 :: 1.498 HG22 :: 1.498 HG23 :: 1.498 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.341 Ave N Shift Values>> N :: 115.42(4.75) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 174.026 CA :: 65.329 CB :: 31.884 CG :: 27.805 CD :: 50.561 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.109 HB2 :: 2.347 HB3 :: 2.351 HG2 :: 2.065 HG3 :: 2.127 HD2 :: 3.728 HD3 :: 3.92 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> N 0.38 D 0.32 L 0.11 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.649 CA :: 52.195 CB :: 40.217 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.246 HA :: 4.247 HB2 :: 2.536 HB3 :: 2.872 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 107.288(S) Ave N Shift Values>> N :: 120.65(3.86) 1.H83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> M 0.16 R 0.14 C 0.14 K 0.13 H 0.13 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.541 CA :: 56.441 CB :: 31.674 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.185 HA :: 4.453 HB2 :: 3.483 HB3 :: 3.492 HD1 :: 8.839 HD2 :: 7.249 HE1 :: 6.801 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.184 ND1 :: 135.122(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 175.644 CA :: 62.488 CB :: 32.311 CG :: 27.841 CD :: 51.118 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.52 HB2 :: 1.94 HB3 :: 2.224 HG2 :: 2.069 HG3 :: 2.243 HD2 :: 3.911 HD3 :: 4.296 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.561 CA :: 61.54 CB :: 34.975 CG1 :: 20.858 CG2 :: 21.767 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.573 HA :: 4.407 HB :: 2.051 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.502 Ave N Shift Values>> N :: 121.14(4.54) 1.Y86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.45 Y 0.18 C 0.17 F 0.16 C Shift Assignments>> C :: 173.325 CA :: 61.399 CB :: 38.647 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.859 HA :: 3.589 HB2 :: 2.502 HB3 :: 2.51 HD1 :: 5.764(S) HD2 :: 5.772(S) HE1 :: 5.775(S) HE2 :: 6.444 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.021 Ave N Shift Values>> N :: 120.52(4.2) 1.T87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.67 C 0.31 A 0.01 C Shift Assignments>> C :: 173.607 CA :: 58.42 CB :: 70.811 CG2 :: 21.818 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 5.958(S) HA :: 5.032 HB :: 4.29 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.962 Ave N Shift Values>> N :: 115.42(4.75) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 177.984 CA :: 57.812 CB :: 32.632 CG :: 25.6 CD :: 29.146 CE :: 41.599 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.148 HA :: 3.81 HB2 :: 1.776 HB3 :: 1.935 HG2 :: 1.385 HG3 :: 1.581 HD2 :: 1.585 HD3 :: 1.759 HE2 :: 3.022 HE3 :: 3.029 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.21 D 0.18 F 0.1 R 0.09 Y 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 176.31 CA :: 55.659 CB :: 41.976 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.282 HA :: 4.551 HB2 :: 2.634 HB3 :: 2.813 HD21 :: 7.129 HD22 :: 7.136 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 109.878 ND2 :: 110.149 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.36 G 0.16 K 0.06 L 0.04 HN Overlap>> 1.H72 1.N33 1.H72 1.N33 1.T13 1.T13 C Shift Assignments>> C :: 174.385 CA :: 55.319 CB :: 29.787 CG :: 25.816 CD :: 43.886 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.032 HA :: 4.742 HB2 :: 1.48 HB3 :: 1.849 HG2 :: 1.265 HG3 :: 1.453 HD2 :: 2.827 HD3 :: 3.169 HE :: 7.152 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.259 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.542 CA :: 44.677 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.137 HA2 :: 3.461 HA3 :: 4.183 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.198 Ave N Shift Values>> N :: 109.67(3.87) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.24 F 0.19 C 0.19 E 0.02 C Shift Assignments>> C :: 176.314 CA :: 60.22 CB :: 38.413 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.74 HA :: 4.662 HB2 :: 2.611 HB3 :: 2.879 HD1 :: 7.133 HD2 :: 7.196 HE1 :: 7.131 HE2 :: 7.175 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.112 Ave N Shift Values>> N :: 120.52(4.2) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 175.359 CA :: 60.449 CB :: 36.169 CG1 :: 20.976 CG2 :: 22.026 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.897 HA :: 4.291 HB :: 1.767 HG11 :: 1.009 HG12 :: 1.009 HG13 :: 1.009 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.638 Ave N Shift Values>> N :: 121.14(4.54) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.26 G 0.13 K 0.08 C Shift Assignments>> C :: 178.114 CA :: 57.788 CB :: 33.327 CG :: 28.027 CD :: 43.85 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.826 HA :: 3.555 HB2 :: 1.468 HB3 :: 2.394 HG2 :: 1.52 HG3 :: 1.705 HD2 :: 3.028 HD3 :: 3.495 HE :: 7.645 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.447 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.41 C 0.05 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 179.498 CA :: 55.72 CB :: 19.027 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.363 HA :: 3.979 HB1 :: 1.51 HB2 :: 1.51 HB3 :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.609 Ave N Shift Values>> N :: 123.23(3.54) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.23 F 0.13 Y 0.13 L 0.09 C 0.09 I 0.01 C Shift Assignments>> C :: 175.972 CA :: 54.646 CB :: 39.442 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.764 HA :: 4.007 HB2 :: 2.502 HB3 :: 3.113 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.457 Ave N Shift Values>> N :: 120.65(3.86) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 M 0.25 Q 0.02 HN Overlap>> 1.H147 1.H147 C Shift Assignments>> C :: 176.977 CA :: 55.499 CB :: 31.721 CG :: 36.486 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.264 HA :: 4.439 HB2 :: 1.894 HB3 :: 1.917 HG2 :: 2.222 HG3 :: 2.595 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.132 Ave N Shift Values>> N :: 120.67(3.48) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.27 L 0.14 R 0.01 A 0.01 C Shift Assignments>> C :: 177.435 CA :: 55.462 CB :: 45.442 CG :: 26.701 CD1 :: 23.576 CD2 :: 27.148 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.859 HA :: 4.423 HB2 :: 1.458 HB3 :: 1.643 HG :: 1.953 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 1.004 HD22 :: 1.004 HD23 :: 1.004 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.287 Ave N Shift Values>> N :: 121.86(3.9) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.37 C Shift Assignments>> C :: 175.45 CA :: 59.611 CB :: 72.507 CG2 :: 20.997 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.447 HA :: 4.876 HB :: 4.595 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.167 Ave N Shift Values>> N :: 115.42(4.75) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.2 Y 0.18 L 0.13 N 0.11 C 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 175.298 CA :: 55.787 CB :: 39.917 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.926 HA :: 4.564 HB2 :: 2.816 HB3 :: 2.96 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.108 Ave N Shift Values>> N :: 120.65(3.86) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.23 K 0.15 R 0.12 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> C :: 176.696 CA :: 54.375 CB :: 42.297 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.995 HA :: 4.783 HB2 :: 2.45 HB3 :: 2.642 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.923 Ave N Shift Values>> N :: 120.65(3.86) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.2 D 0.15 R 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 176.332 CA :: 55.722 CB :: 42.264 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.158 HA :: 4.435 HB2 :: 2.568 HB3 :: 2.8 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.075 Ave N Shift Values>> N :: 120.65(3.86) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.18 Q 0.04 K 0.02 C Shift Assignments>> C :: 174.279 CA :: 55.533 CB :: 30.86 CG :: 36.326 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.56 HA :: 4.522 HB2 :: 1.911 HB3 :: 2.125 HG2 :: 2.131 HG3 :: 2.295 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.051 Ave N Shift Values>> N :: 120.67(3.48) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.24 L 0.17 K 0.02 C Shift Assignments>> C :: 176.273 CA :: 55.308 CB :: 41.535 CG :: 29.216 CD1 :: 26.133 CD2 :: 26.16 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.386 HA :: 4.767 HB2 :: 1.116 HB3 :: 1.927 HG :: 1.83 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.873 HD22 :: 0.873 HD23 :: 0.873 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.271 Ave N Shift Values>> N :: 121.86(3.9) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 173.568 CA :: 63.418 CB :: 33.19 CG1 :: 20.489 CG2 :: 22.156 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.306 HA :: 4.383 HB :: 1.772 HG11 :: 0.369 HG12 :: 0.369 HG13 :: 0.369 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.854 Ave N Shift Values>> N :: 121.14(4.54) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.26 A 0.01 C Shift Assignments>> C :: 175.344 CA :: 58.611 CB :: 35.014 CG1 :: 20.081 CG2 :: 21.405 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.498 HA :: 5.492 HB :: 1.773 HG11 :: 0.726 HG12 :: 0.726 HG13 :: 0.726 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.085 Ave N Shift Values>> N :: 121.14(4.54) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 176.302 CA :: 51.067 CB :: 17.959 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.592 HA :: 4.36 HB1 :: 0.811 HB2 :: 0.811 HB3 :: 0.811 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.533 Ave N Shift Values>> N :: 123.23(3.54) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 HN Overlap>> 1.D31 1.D31 1.N126 1.N126 C Shift Assignments>> C :: 175.612 CA :: 58.677 CB :: 38.529 CG1 :: 26.621 CG2 :: 17.071 CD1 :: 11.695 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.198 HA :: 4.208 HB :: 1.667 HG12 :: 0.894 HG13 :: 1.004 HG21 :: 0.533 HG22 :: 0.533 HG23 :: 0.533 HD11 :: 0.439 HD12 :: 0.439 HD13 :: 0.439 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.867 Ave N Shift Values>> N :: 121.46(4.28) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.42 A 0.08 C Shift Assignments>> C :: 174.438 CA :: 56.163 CB :: 31.183 CG :: 32.451 CE :: 16.915 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.723 HA :: 4.048 HB2 :: 2.069 HB3 :: 2.29 HG2 :: 2.536 HG3 :: 2.538 HE1 :: 0.728 HE2 :: 0.728 HE3 :: 0.728 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.937 Ave N Shift Values>> N :: 120.09(3.57) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 I 0.23 K 0.04 HN Overlap>> 1.G2 1.G2 C Shift Assignments>> C :: 175.429 CA :: 57.976 CB :: 28.443 CG :: 37.25 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.541 HA :: 3.575 HB2 :: 2.112 HB3 :: 2.211 HG2 :: 2.103 HG3 :: 2.39 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.806 Ave N Shift Values>> N :: 120.67(3.48) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.26 C 0.09 M 0.01 C Shift Assignments>> C :: 176.544 CA :: 53.222 CB :: 21.496 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.686 HA :: 4.483 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.943 Ave N Shift Values>> N :: 123.23(3.54) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.07 C Shift Assignments>> C :: 174.443 CA :: 54.798 CB :: 35.991 CG :: 24.776 CD :: 28.922 CE :: 41.815 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.585 HA :: 4.76 HB2 :: 1.751 HB3 :: 1.849 HG2 :: 1.394 HG3 :: 1.397 HD2 :: 1.718 HD3 :: 1.721 HE2 :: 2.907 HE3 :: 3.001 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.145 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.43 C Shift Assignments>> C :: 173.925 CA :: 59.571 CB :: 71.994 CG2 :: 22.457 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.068 HA :: 5.458 HB :: 4.073 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.75 Ave N Shift Values>> N :: 115.42(4.75) 1.Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 D 0.18 F 0.13 Y 0.1 C 0.06 R 0.04 N 0.02 C Shift Assignments>> C :: 174.123 CA :: 56.013 CB :: 41.565 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.372 HA :: 4.797 HB2 :: 2.729 HB3 :: 3.274 HD1 :: 7.116 HD2 :: 7.154 HE1 :: 6.725 HE2 :: 6.729 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.991 Ave N Shift Values>> N :: 120.52(4.2) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 HN Overlap>> 1.V25 1.V25 1.F28 1.F28 C Shift Assignments>> C :: 176.974 CA :: 59.858 CB :: 38.39 CG1 :: 27.798 CG2 :: 18.057 CD1 :: 12.217 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.986 HA :: 5.083 HB :: 1.872 HG12 :: 1.299 HG13 :: 1.573 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.444 Ave N Shift Values>> N :: 121.46(4.28) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 171.17 CA :: 43.435 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.566 HA2 :: 3.009 HA3 :: 5.059 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.21 Ave N Shift Values>> N :: 109.67(3.87) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.34 A 0.07 R 0.02 G 0.01 HN Overlap>> 1.N126 1.N126 C Shift Assignments>> C :: 175.422 CA :: 53.479 CB :: 35.697 CG :: 23.574 CD :: 27.943 CE :: 41.796 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.186 HA :: 4.915 HB2 :: 1.755 HB3 :: 1.89 HG2 :: 1.474 HG3 :: 1.634 HD2 :: 1.891 HD3 :: 1.893 HE2 :: 3.044 HE3 :: 3.045 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.998 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.54 C 0.32 G 0.06 R 0.05 C Shift Assignments>> C :: 175.302 CA :: 56.918 CB :: 43.219 CG :: 26.63 CD1 :: 25.113 CD2 :: 25.209 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 10.471(S) HA :: 4.123 HB2 :: 1.186 HB3 :: 1.708 HG :: 0.663 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.462 Ave N Shift Values>> N :: 121.86(3.9) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.08 C Shift Assignments>> C :: 176.676 CA :: 56.843 CB :: 34.731 CG :: 24.997 CD :: 29.322 CE :: 41.758 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.651 HA :: 4.571 HB2 :: 1.714 HB3 :: 1.716 HG2 :: 1.34 HG3 :: 1.508 HD2 :: 1.529 HD3 :: 1.568 HE2 :: 2.707 HE3 :: 3.002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.675 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.225 CA :: 58.135 CB :: 65.367 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.894 HA :: 4.641 HB2 :: 3.838 HB3 :: 3.914 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.453 Ave N Shift Values>> N :: 116.28(3.52) 1.R121 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.29 G 0.18 K 0.08 HN Overlap>> 1.D29 1.E150 1.D29 1.E150 C Shift Assignments>> C :: 173.894 CA :: 55.275 CB :: 33.273 CG :: 28.133 CD :: 43.896 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.417 HA :: 5.373 HB2 :: 1.479 HB3 :: 1.934 HG2 :: 1.325 HG3 :: 1.542 HD2 :: 3.11 HD3 :: 3.334 HE :: 5.365 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.419 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HE > HA : 0.9911) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.41 A 0.03 R 0.01 C Shift Assignments>> C :: 174.34 CA :: 54.326 CB :: 36.104 CG :: 23.819 CD :: 29.008 CE :: 41.778 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.522 HA :: 4.958 HB2 :: 1.819 HB3 :: 1.896 HG2 :: 1.317 HG3 :: 1.547 HD2 :: 1.68 HD3 :: 1.707 HE2 :: 2.908 HE3 :: 2.914 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.845 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.668 CA :: 62.438 CB :: 38.386 CG1 :: 28.212 CG2 :: 17.801 CD1 :: 12.973 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.527 HA :: 4.518 HB :: 1.824 HG12 :: 1.328 HG13 :: 1.706 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.774 Ave N Shift Values>> N :: 121.46(4.28) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.06 I 0.02 C Shift Assignments>> C :: 174.482 CA :: 59.323 CB :: 35.442 CG1 :: 18.819 CG2 :: 23.279 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.534 HA :: 4.826 HB :: 2.383 HG11 :: 0.655 HG12 :: 0.655 HG13 :: 0.655 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.965 Ave N Shift Values>> N :: 121.14(4.54) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.662 CA :: 59.527 CB :: 63.851 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.942 HA :: 4.297 HB2 :: 3.862 HB3 :: 3.993 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.64 Ave N Shift Values>> N :: 116.28(3.52) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.18 Y 0.13 F 0.12 C 0.11 L 0.06 I 0.01 E 0.01 HN Overlap>> 1.D31 1.I108 1.D31 1.I108 1.K117 1.K117 C Shift Assignments>> C :: 175.8 CA :: 54.484 CB :: 38.872 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.17 HA :: 4.771 HB2 :: 2.185 HB3 :: 2.541 HD21 :: 6.789 HD22 :: 6.815 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.897 ND2 :: 111.298 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 E 0.01 HN Overlap>> 1.N30 1.N30 C Shift Assignments>> C :: 174.799 CA :: 55.579 CB :: 35.545 CG :: 36.968 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.849 HA :: 4.711 HB2 :: 1.97 HB3 :: 2.384 HG2 :: 2.269 HG3 :: 2.392 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.946 Ave N Shift Values>> N :: 120.67(3.48) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.19 F 0.16 Y 0.13 K 0.09 C 0.07 N 0.06 I 0.01 C Shift Assignments>> C :: 176.314 CA :: 55.702 CB :: 40.773 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.778 HA :: 4.832 HB2 :: 2.402 HB3 :: 2.787 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.599 Ave N Shift Values>> N :: 120.65(3.86) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 T 0.13 C Shift Assignments>> C :: 173.424 CA :: 59.639 CB :: 72.151 CG2 :: 23.918 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.701 HA :: 5.185 HB :: 3.968 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.343 Ave N Shift Values>> N :: 115.42(4.75) 1.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 R 0.24 L 0.22 C 0.09 F 0.07 Y 0.04 D 0.02 C Shift Assignments>> C :: 174.209 CA :: 57.727 CB :: 44.339 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.375 HA :: 5.158 HB2 :: 2.562 HB3 :: 2.752 HD1 :: 6.806 HD2 :: 7.008 HE1 :: 6.808 HE2 :: 7.011 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.906 Ave N Shift Values>> N :: 120.52(4.2) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.14 C 0.02 D 0.02 R 0.01 C Shift Assignments>> C :: 174.22 CA :: 53.284 CB :: 45.176 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.013 HA :: 5.137 HB2 :: 2.656 HB3 :: 2.799 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.626 Ave N Shift Values>> N :: 120.65(3.86) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 HN Overlap>> 1.N30 1.N30 C Shift Assignments>> C :: 173.579 CA :: 59.113 CB :: 41.14 CG1 :: 26.57 CG2 :: 17.386 CD1 :: 12.718 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.834 HA :: 4.741 HB :: 1.536 HG12 :: 0.562 HG13 :: 0.961 HG21 :: 0.46 HG22 :: 0.46 HG23 :: 0.46 HD11 :: 0.093 HD12 :: 0.093 HD13 :: 0.093 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.073 Ave N Shift Values>> N :: 121.46(4.28) 1.Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.26 Q 0.2 E 0.02 K 0.02 C Shift Assignments>> C :: 176.663 CA :: 54.252 CB :: 31.794 CG :: 33.541 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.087 HA :: 4.773 HB2 :: 1.781 HB3 :: 1.937 HG2 :: 2.195 HG3 :: 2.376 HE21 :: 6.725 HE22 :: 7.656 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.456 NE2 :: 111.446 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 T 0.38 C Shift Assignments>> C :: 176.851 CA :: 58.882 CB :: 72.58 CG2 :: 22.407 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.358 HA :: 5.608 HB :: 4.361 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.471 Ave N Shift Values>> N :: 115.42(4.75) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.571 CA :: 61.55 CB :: 62.917 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.876 HA :: 4.247 HB2 :: 3.929 HB3 :: 4.087 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.259 Ave N Shift Values>> N :: 116.28(3.52) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.18 CA :: 62.056 CB :: 69.652 CG2 :: 22.531 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.22 HA :: 4.256 HB :: 4.504 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.863 Ave N Shift Values>> N :: 115.42(4.75) 1.H137 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.23 L 0.19 C 0.15 Q 0.11 W 0.07 H 0.06 I 0.05 E 0.05 K 0.04 C Shift Assignments>> C :: 172.977 CA :: 57.094 CB :: 26.97 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.508 HA :: 4.27 HB2 :: 3.174 HB3 :: 3.575 HD1 :: 7.224 HD2 :: 7.344 HE1 :: 7.512 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.454 ND1 :: 108.835(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> D 0.37 N 0.2 L 0.19 F 0.05 K 0.05 C 0.05 Y 0.04 C Shift Assignments>> C :: 174.353 CA :: 52.645 CB :: 41.066 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.656 HA :: 5.096 HB2 :: 2.705 HB3 :: 3.496 HD21 :: 8.161 HD22 :: 8.163 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.667 ND2 :: 120.205(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.09 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 173.386 CA :: 57.757 CB :: 40.563 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.014 HA :: 4.599 HB2 :: 2.998 HB3 :: 3.887 HD1 :: 6.937 HD2 :: 6.942 HE1 :: 6.929 HE2 :: 7.237 HZ :: 7.238 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 106.983 Ave N Shift Values>> N :: 120.45(4.18) 1.F140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 I 0.15 C 0.13 K 0.05 L 0.05 D 0.02 HN Overlap>> 1.I27 1.I27 1.S1 1.S1 C Shift Assignments>> C :: 175.327 CA :: 59.274 CB :: 40.59 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.995 HA :: 4.827 HB2 :: 2.727 HB3 :: 2.882 HD1 :: 6.792 HD2 :: 6.804 HE1 :: 6.792 HE2 :: 7.105 HZ :: 7.155 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.553 Ave N Shift Values>> N :: 120.45(4.18) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 L 0.15 C 0.1 C Shift Assignments>> C :: 175.857 CA :: 50.032 CB :: 22.05 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.612 HA :: 5.412 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.18 Ave N Shift Values>> N :: 123.23(3.54) 1.N142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 C 0.22 E 0.2 M 0.1 Y 0.09 F 0.06 K 0.02 D 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 174.183 CA :: 54.588 CB :: 36.69 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.206 HA :: 4.522 HB2 :: 3.134 HB3 :: 3.502 HD21 :: 6.923 HD22 :: 8.274 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.374 ND2 :: 112.396 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> F 0.25 Y 0.22 D 0.14 L 0.13 C 0.1 K 0.04 I 0.04 N 0.03 C Shift Assignments>> C :: 174.042 CA :: 56.887 CB :: 40.349 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.618 HA :: 4.231 HB2 :: 3.342 HB3 :: 3.487 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 103.913(S) Ave N Shift Values>> N :: 120.65(3.86) 1.I144 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 :: 176.748 CA :: 59.892 CB :: 38.373 CG1 :: 27.756 CG2 :: 18.032 CD1 :: 12.172 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.488 HA :: 4.663 HB :: 1.923 HG12 :: 1.377 HG13 :: 1.641 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.071 Ave N Shift Values>> N :: 121.46(4.28) 1.L145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 A 0.26 L 0.06 R 0.05 C Shift Assignments>> C :: 176.09 CA :: 56.283 CB :: 41.214 CG :: 26.832 CD1 :: 20.18 CD2 :: 26.623 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.565 HA :: 3.827 HB2 :: 0.745 HB3 :: 2.021 HG :: 0.026(S) HD11 :: -0.378(S) HD12 :: -0.378(S) HD13 :: -0.378(S) HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.394 Ave N Shift Values>> N :: 121.86(3.9) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 V 0.03 A 0.01 C Shift Assignments>> C :: 173.493 CA :: 59.12 CB :: 35.549 CG1 :: 18.031 CG2 :: 21.471 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.54 HA :: 5.08 HB :: 2.373 HG11 :: 0.355 HG12 :: 0.355 HG13 :: 0.355 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.937 Ave N Shift Values>> N :: 121.14(4.54) 1.H147 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> M 0.16 K 0.16 C 0.15 R 0.13 H 0.11 W 0.09 E 0.08 Q 0.05 V 0.02 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> C :: 173.261 CA :: 56.778 CB :: 32.108 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.309 HA :: 4.421 HB2 :: 2.289 HB3 :: 2.696 HD1 :: 7.857 HD2 :: 4.6(S) HE1 :: 7.157 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.117 ND1 :: 124.985(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.03 L 0.03 C Shift Assignments>> C :: 176.384 CA :: 50.628 CB :: 20.831 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.471 HA :: 5.064 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.593 Ave N Shift Values>> N :: 123.23(3.54) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.852 CA :: 58.781 CB :: 63.851 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.26 HA :: 4.372 HB2 :: 3.614 HB3 :: 3.658 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.191 Ave N Shift Values>> N :: 116.28(3.52) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.15 Q 0.04 K 0.03 I 0.01 HN Overlap>> 1.D29 1.D29 1.R121 1.R121 C Shift Assignments>> C :: 175.477 CA :: 56.448 CB :: 30.739 CG :: 36.294 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.396 HA :: 4.31 HB2 :: 1.884 HB3 :: 2.001 HG2 :: 2.146 HG3 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.499 Ave N Shift Values>> N :: 120.67(3.48) 1.I151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 180.601 CA :: 63.03 CB :: 39.643 CG1 :: 27.457 CG2 :: 18.017 CD1 :: 13.718 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.698 HA :: 4.005 HB :: 1.727 HG12 :: 1.022 HG13 :: 1.38 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.548 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 131 #Clerical: 0 #Suspicious: 14 #Anomalous: 6 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 149 #Suspicious: 2 C Shift Results: #Consistent: 626 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1077 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 157 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 5 Error Summary: 1.R14 HB2 = 0.448(S), Expected = 1.79, Std = 0.2700, ChiSquare = 6.6825e-07 1.R14 HG2 = 0.296(S), Expected = 1.57, Std = 0.2700, ChiSquare = 2.3757e-06 1.R14 HD2 = 1.918(S), Expected = 3.12, Std = 0.2400, ChiSquare = 5.4903e-07 1.R14 HD3 = 2.19(S), Expected = 3.10, Std = 0.2600, ChiSquare = 4.6526e-04 1.F28 HD2 = 8.38(A), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0620e-05 1.L37 HG = 0.406(S), Expected = 1.51, Std = 0.3300, ChiSquare = 8.2148e-04 1.L37 HD11 = -0.298(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.8194e-04 1.L37 HD12 = -0.298(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.8194e-04 1.L37 HD13 = -0.298(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.8194e-04 1.A38 N = 135.216(S), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0952e-04 1.H42 ND1 = 127.015(A), Expected = 195.02, Std = 18.5100, ChiSquare = 2.3882e-04 1.R58 HE = 4.865(S), Expected = 7.40, Std = 0.6300, ChiSquare = 5.7264e-05 1.R58 SRO Rule Break>> HE > HA : 0.991111111111111 1.L63 CB = 49.475(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3831e-04 1.E65 HB2 = 1.308(S), Expected = 2.02, Std = 0.2100, ChiSquare = 6.9771e-04 1.H72 ND1 = 126.986(A), Expected = 195.02, Std = 18.5100, ChiSquare = 2.3736e-04 1.D82 N = 107.288(S), Expected = 120.65, Std = 3.8600, ChiSquare = 5.3686e-04 1.H83 ND1 = 135.122(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.2123e-03 1.Y86 HD1 = 5.764(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.0163e-04 1.Y86 HD2 = 5.772(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.1339e-04 1.Y86 HE1 = 5.775(S), Expected = 6.70, Std = 0.2300, ChiSquare = 5.7770e-05 1.T87 H = 5.958(S), Expected = 8.24, Std = 0.6200, ChiSquare = 2.3264e-04 1.L118 H = 10.471(S), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6540e-04 1.R121 SRO Rule Break>> HE > HA : 0.991111111111111 1.H137 ND1 = 108.835(A), Expected = 195.02, Std = 18.5100, ChiSquare = 3.2221e-06 1.N138 ND2 = 120.205(S), Expected = 112.75, Std = 2.2300, ChiSquare = 8.2863e-04 1.D143 N = 103.913(S), Expected = 120.65, Std = 3.8600, ChiSquare = 1.4509e-05 1.L145 HG = 0.026(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.8929e-06 1.L145 HD11 = -0.378(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6117e-05 1.L145 HD12 = -0.378(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6117e-05 1.L145 HD13 = -0.378(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6117e-05 1.H147 HD2 = 4.6(S), Expected = 7.00, Std = 0.4300, ChiSquare = 2.3860e-08 1.H147 ND1 = 124.985(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.5456e-04