Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 177.030 CA :: 55.368 CB :: 42.274 CG :: 26.989 CD1 :: 24.743 CD2 :: 23.634 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.247 HA :: 4.280 HB2 :: 1.408 HB3 :: 1.514 HG :: 1.462 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.068 Ave N Shift Values>> N :: 121.98(4.07) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.02 N 0.01 E 0.01 HN Overlap>> 1.D70 1.R10 1.D70 1.R10 C Shift Assignments>> C :: 175.252 CA :: 57.796 CB :: 39.586 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.101 HA :: 4.570 HB2 :: 3.155 HB3 :: 2.952 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.094 Ave N Shift Values>> N :: 120.69(4.18) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 K 0.11 N 0.1 C 0.1 F 0.07 Y 0.06 R 0.03 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> C :: 175.182 CA :: 53.896 CB :: 41.247 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.153 HA :: 4.552 HB2 :: 2.545 HB3 :: 2.621 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.292 Ave N Shift Values>> N :: 120.73(4.2) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> CA :: 50.724 CB :: 18.229 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.976 HA :: 4.536 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.898 Ave N Shift Values>> N :: 123.23(3.7) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.39 C 0.07 I 0.05 W 0.02 C Shift Assignments>> C :: 177.870 CA :: 63.811 CB :: 32.041 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.381 HB2 :: 1.921 HB3 :: 2.276 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.444 CA :: 45.327 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.479 HA2 :: 3.911 HA3 :: 3.952 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.853 Ave N Shift Values>> N :: 109.91(4.29) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.07 HN Overlap>> 1.F5 1.D70 1.F5 1.D70 C Shift Assignments>> C :: 176.460 CA :: 56.281 CB :: 30.760 CG :: 26.969 CD :: 43.347 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.045 HA :: 4.314 HB2 :: 1.768 HB3 :: 1.856 HG2 :: 1.620 HG3 :: 1.611 HD2 :: 3.174 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.035 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.203 CA :: 58.573 CB :: 63.780 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.238 HA :: 4.323 HB2 :: 3.761 HB3 :: 3.816 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.243 Ave N Shift Values>> N :: 116.3(3.95) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 Q 0.24 C 0.24 R 0.12 M 0.07 E 0.04 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> C :: 174.913 CA :: 55.945 CB :: 28.684 CG :: 33.013 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.187 HA :: 4.114 HB2 :: 1.776 HB3 :: 1.705 HG2 :: 1.992 HG3 :: 1.963 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.345 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.2 D 0.08 I 0.07 L 0.05 N 0.03 E 0.02 HN Overlap>> 1.L121 1.L121 C Shift Assignments>> C :: 175.530 CA :: 57.223 CB :: 39.202 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.770 HA :: 4.689 HB2 :: 2.543 HB3 :: 3.175 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.877 Ave N Shift Values>> N :: 120.69(4.18) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 173.433 CA :: 59.751 CB :: 30.988 CG1 :: 21.407 CG2 :: 19.356 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.511 HA :: 4.426 HB :: 2.101 HG11 :: 0.864 HG12 :: 0.864 HG13 :: 0.864 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.881 Ave N Shift Values>> N :: 121.02(4.96) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 P 0.39 C 0.09 I 0.04 W 0.02 C Shift Assignments>> C :: 177.441 CA :: 63.314 CB :: 32.437 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.557 HB2 :: 1.877 HB3 :: 2.523 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.2 I 0.08 C 0.04 V 0.02 HN Overlap>> 1.K117 1.K117 C Shift Assignments>> C :: 178.412 CA :: 56.254 CB :: 18.403 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.403 HA :: 3.591 HB1 :: 1.613 HB2 :: 1.613 HB3 :: 1.613 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.793 Ave N Shift Values>> N :: 123.23(3.7) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.18 D 0.16 C 0.15 L 0.12 K 0.07 N 0.05 I 0.03 C Shift Assignments>> C :: 176.647 CA :: 56.301 CB :: 40.234 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.607 HA :: 4.444 HB2 :: 2.591 HB3 :: 2.792 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.510 Ave N Shift Values>> N :: 120.73(4.2) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.14 M 0.07 R 0.04 C Shift Assignments>> C :: 176.384 CA :: 56.549 CB :: 29.404 CG :: 34.008 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.453 HA :: 4.156 HB2 :: 1.772 HB3 :: 1.912 HG2 :: 2.337 HG3 :: 2.263 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.259 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 A 0.45 C 0.01 I 0.01 C Shift Assignments>> C :: 175.453 CA :: 54.005 CB :: 17.163 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.229 HA :: 3.074 HB1 :: -0.428(S) HB2 :: -0.428(S) HB3 :: -0.428(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.186 Ave N Shift Values>> N :: 123.23(3.7) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.04 E 0.01 C Shift Assignments>> C :: 173.329 CA :: 53.147 CB :: 38.887 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.994 HA :: 4.909 HB2 :: 3.435 HB3 :: 2.700 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.281 Ave N Shift Values>> N :: 120.69(4.18) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 176.463 CA :: 52.375 CB :: 19.020 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.106 HA :: 4.618 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.952 Ave N Shift Values>> N :: 123.23(3.7) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 R 0.15 C 0.11 F 0.11 D 0.09 Y 0.08 I 0.01 C Shift Assignments>> C :: 174.120 CA :: 56.683 CB :: 42.113 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.709 HA :: 4.938 HB2 :: 2.655 HB3 :: 2.762 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.155 Ave N Shift Values>> N :: 120.69(4.18) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.16 C 0.1 R 0.06 D 0.03 C Shift Assignments>> C :: 171.309 CA :: 52.516 CB :: 44.684 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.338 HA :: 4.223 HB2 :: 2.272 HB3 :: 2.109 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.379 Ave N Shift Values>> N :: 120.73(4.2) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.21 K 0.13 D 0.13 C 0.1 F 0.05 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 173.586 CA :: 55.145 CB :: 42.755 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.600 HA :: 5.299 HB2 :: 2.548 HB3 :: 2.561 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.800 Ave N Shift Values>> N :: 120.69(4.18) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.34 Q 0.16 E 0.07 K 0.03 C Shift Assignments>> C :: 173.929 CA :: 55.747 CB :: 32.313 CG :: 33.513 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.049 HA :: 4.331 HB2 :: 1.883 HB3 :: 1.876 HG2 :: 2.106 HG3 :: 2.168 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.815 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.27 Q 0.2 K 0.15 E 0.03 R 0.03 C Shift Assignments>> C :: 174.267 CA :: 54.372 CB :: 30.722 CG :: 32.748 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.377 HA :: 4.997 HB2 :: 1.830 HB3 :: 2.118 HG2 :: 2.371 HG3 :: 2.110 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.860 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.13 Y 0.06 F 0.05 L 0.05 C Shift Assignments>> C :: 174.363 CA :: 52.530 CB :: 39.331 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.170 HA :: 4.801 HB2 :: 2.634 HB3 :: 2.875 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.113 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.19 K 0.18 R 0.09 E 0.05 I 0.04 M 0.01 HN Overlap>> 1.I78 1.I78 1.W35 1.W35 C Shift Assignments>> C :: 174.562 CA :: 58.553 CB :: 26.602 CG :: 34.040 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.417 HA :: 3.604 HB2 :: 2.070 HB3 :: 2.448 HG2 :: 2.471 HG3 :: 2.326 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.156 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.13 K 0.13 Q 0.13 H 0.12 C 0.11 R 0.1 I 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 173.790 CA :: 57.785 CB :: 29.192 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.212 HA :: 4.481 HB2 :: 3.390 HB3 :: 3.384 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.871 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.19 K 0.14 R 0.13 C 0.1 F 0.05 Y 0.04 N 0.03 G 0.01 C Shift Assignments>> C :: 173.819 CA :: 54.390 CB :: 42.309 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.021 HA :: 5.003 HB2 :: 2.667 HB3 :: 2.667 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.812 Ave N Shift Values>> N :: 120.73(4.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.22 L 0.14 R 0.09 C Shift Assignments>> C :: 173.742 CA :: 53.268 CB :: 44.774 CG :: 27.157 CD1 :: 24.462 CD2 :: 27.819 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.730 HA :: 5.081 HB2 :: 1.135 HB3 :: 1.950 HG :: 1.289 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.663 HD22 :: 0.663 HD23 :: 0.663 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.739 Ave N Shift Values>> N :: 121.98(4.07) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 C 0.11 K 0.08 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 174.289 CA :: 52.616 CB :: 41.342 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.786 HA :: 5.316 HB2 :: 2.315 HB3 :: 2.528 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.822 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.25 R 0.13 G 0.09 A 0.02 C Shift Assignments>> C :: 174.996 CA :: 53.102 CB :: 43.004 CG :: 26.578 CD1 :: 23.884 CD2 :: 27.017 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.342 HA :: 4.555 HB2 :: 1.072 HB3 :: 2.162 HG :: 1.695 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.343 Ave N Shift Values>> N :: 121.98(4.07) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 T 0.11 C Shift Assignments>> C :: 172.019 CA :: 60.381 CB :: 72.062 CG2 :: 24.901 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.316 HA :: 5.468 HB :: 3.705 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.827 Ave N Shift Values>> N :: 115.7(5.05) 1.W35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.21 Q 0.19 K 0.16 M 0.16 E 0.08 W 0.04 V 0.04 R 0.03 H 0.03 Y 0.01 HN Overlap>> 1.Q28 1.Q28 C Shift Assignments>> C :: 175.725 CA :: 57.424 CB :: 33.984 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.345 HA :: 5.409 HB2 :: 2.434 HB3 :: 2.929 HE1 :: 5.621(A) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.200 NE1 :: 121.607 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.23 M 0.08 E 0.07 R 0.06 C Shift Assignments>> C :: 175.468 CA :: 55.146 CB :: 29.205 CG :: 33.493 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.815 HA :: 4.632 HB2 :: 2.128 HB3 :: 1.955 HG2 :: 2.266 HG3 :: 2.266 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.746 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.073 CA :: 61.040 CB :: 38.602 CG1 :: 28.052 CG2 :: 18.939 CD1 :: 13.794 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.453 HA :: 4.708 HB :: 1.778 HG12 :: 0.671 HG13 :: 1.507 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.939 Ave N Shift Values>> N :: 121.6(4.72) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 175.362 CA :: 57.410 CB :: 33.667 CG :: 24.694 CD :: 29.297 CE :: 41.886 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.672 HA :: 4.059 HB2 :: 1.637 HB3 :: 1.422 HG2 :: 1.616 HG3 :: 1.794 HD2 :: 1.353 HD3 :: 1.353 HE2 :: 3.037 HE3 :: 3.060 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 131.313 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.17 F 0.15 C 0.12 Y 0.12 D 0.12 R 0.06 I 0.02 N 0.01 C Shift Assignments>> C :: 177.528 CA :: 56.701 CB :: 41.321 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.457 HA :: 4.669 HB2 :: 2.707 HB3 :: 2.802 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.693 Ave N Shift Values>> N :: 120.73(4.2) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 174.090 CA :: 45.072 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.203 HA2 :: 3.973 HA3 :: 4.277 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.018 Ave N Shift Values>> N :: 109.91(4.29) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.14 L 0.13 K 0.12 D 0.12 I 0.03 N 0.02 R 0.02 C Shift Assignments>> C :: 173.868 CA :: 56.949 CB :: 40.688 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.289 HA :: 5.320 HB2 :: 2.847 HB3 :: 3.055 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.821 Ave N Shift Values>> N :: 120.79(4.69) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 K 0.19 D 0.16 F 0.12 C 0.11 Y 0.1 R 0.06 N 0.02 I 0.01 C Shift Assignments>> C :: 173.677 CA :: 55.989 CB :: 41.372 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.815 HA :: 5.363 HB2 :: 2.582 HB3 :: 2.806 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.119 Ave N Shift Values>> N :: 120.79(4.69) 1.L43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.41 C 0.31 L 0.21 A 0.05 C Shift Assignments>> C :: 177.260 CA :: 52.611 CB :: 46.968 CG :: 26.424 CD1 :: 23.728 CD2 :: 24.710 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.460 HA :: 4.564 HB2 :: 1.156 HB3 :: 1.394 HG :: 1.215 HD11 :: -0.129(S) HD12 :: -0.129(S) HD13 :: -0.129(S) HD21 :: -0.216(S) HD22 :: -0.216(S) HD23 :: -0.216(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.722 Ave N Shift Values>> N :: 121.98(4.07) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.12 L 0.04 D 0.04 K 0.01 E 0.01 N 0.01 C Shift Assignments>> C :: 176.817 CA :: 58.310 CB :: 39.594 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.532 HA :: 4.505 HB2 :: 2.350 HB3 :: 2.987 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.483 Ave N Shift Values>> N :: 120.79(4.69) 1.R45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.33 G 0.18 K 0.03 I 0.02 C Shift Assignments>> C :: 177.411 CA :: 60.374 CB :: 30.826 CD :: 43.778 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.272 HA :: 3.824 HB2 :: 1.299 HB3 :: 0.645(S) HD2 :: 2.789 HD3 :: 2.626 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.988 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 176.285 CA :: 57.688 CB :: 32.064 CG :: 25.262 CD :: 29.303 CE :: 41.927 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.090 HA :: 4.077 HB2 :: 1.744 HB3 :: 1.740 HG2 :: 1.362 HG3 :: 1.456 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.901 HE3 :: 2.923 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.235 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.15 Q 0.15 K 0.13 W 0.1 R 0.1 E 0.07 M 0.04 L 0.04 C Shift Assignments>> C :: 174.877 CA :: 53.731 CB :: 29.117 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.685 HA :: 4.412 HB2 :: 1.844 HB3 :: 2.469 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.457 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I48 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 :: 176.042 CA :: 61.795 CB :: 37.803 CG1 :: 28.163 CG2 :: 16.315 CD1 :: 13.662 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.802 HA :: 4.862 HB :: 1.777 HG12 :: 1.767 HG13 :: 0.743 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 HD11 :: 0.455 HD12 :: 0.455 HD13 :: 0.455 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.020 Ave N Shift Values>> N :: 121.6(4.72) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.27 K 0.2 G 0.06 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 174.511 CA :: 55.249 CB :: 33.655 CG :: 26.920 CD :: 43.086 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.955 HA :: 4.666 HB2 :: 1.734 HB3 :: 1.639 HG2 :: 1.495 HG3 :: 1.540 HD2 :: 3.129 HD3 :: 3.181 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.481 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 HN Overlap>> 1.E115 1.E115 C Shift Assignments>> C :: 175.319 CA :: 60.525 CB :: 40.733 CG1 :: 28.093 CG2 :: 19.016 CD1 :: 14.482 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.749 HA :: 4.933 HB :: 1.775 HG12 :: 1.069 HG13 :: 1.577 HG21 :: 0.749 HG22 :: 0.749 HG23 :: 0.749 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.042 Ave N Shift Values>> N :: 121.6(4.72) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.25 C Shift Assignments>> C :: 173.177 CA :: 59.129 CB :: 71.624 CG2 :: 21.529 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.024 HA :: 5.007 HB :: 3.999 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.272 Ave N Shift Values>> N :: 115.7(5.05) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.43 P 0.2 C 0.18 W 0.03 K 0.02 I 0.02 Q 0.02 M 0.01 R 0.01 E 0.01 C Shift Assignments>> C :: 175.271 CA :: 62.102 CB :: 33.436 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.134 HB2 :: 1.732 HB3 :: 2.063 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 M 0.24 Q 0.07 K 0.03 I 0.01 C Shift Assignments>> C :: 174.828 CA :: 56.294 CB :: 31.608 CG :: 35.650 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.798 HA :: 4.433 HB2 :: 1.819 HB3 :: 1.819 HG2 :: 1.784 HG3 :: 1.876 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.874 Ave N Shift Values>> N :: 120.68(3.68) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 L 0.21 C 0.12 K 0.11 Q 0.1 H 0.06 W 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 171.963 CA :: 56.779 CB :: 26.511 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.873 HA :: 4.185 HB2 :: 3.336 HB3 :: 3.336 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.976 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.22 C 0.21 M 0.08 K 0.05 P 0.01 C Shift Assignments>> C :: 174.961 CA :: 50.715 CB :: 23.053 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.271 HA :: 4.908 HB1 :: 1.206 HB2 :: 1.206 HB3 :: 1.206 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 114.451 Ave N Shift Values>> N :: 123.23(3.7) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.15 G 0.01 M 0.01 C Shift Assignments>> C :: 175.797 CA :: 54.922 CB :: 35.287 CG :: 24.559 CD :: 28.938 CE :: 42.259 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.859 HA :: 4.746 HB2 :: 1.919 HB3 :: 1.633 HG2 :: 1.461 HG3 :: 1.380 HD2 :: 1.621 HD3 :: 1.664 HE2 :: 2.927 HE3 :: 2.942 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 175.313 CA :: 58.617 CB :: 40.944 CG1 :: 25.156 CG2 :: 17.492 CD1 :: 13.753 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.783 HA :: 5.219 HB :: 2.021 HG12 :: 0.878 HG13 :: 1.532 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.800 Ave N Shift Values>> N :: 121.6(4.72) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.585 CA :: 51.152 CB :: 19.487 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.224 HA :: 4.436 HB1 :: 1.539 HB2 :: 1.539 HB3 :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.352 Ave N Shift Values>> N :: 123.23(3.7) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.15 F 0.14 C 0.13 Y 0.13 K 0.1 N 0.06 R 0.01 I 0.01 C Shift Assignments>> C :: 176.636 CA :: 55.661 CB :: 40.609 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.345 HA :: 4.402 HB2 :: 2.550 HB3 :: 2.569 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.354 Ave N Shift Values>> N :: 120.73(4.2) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.002 CA :: 62.793 CB :: 32.864 CG1 :: 21.640 CG2 :: 22.307 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.354 HA :: 4.067 HB :: 2.040 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.773 Ave N Shift Values>> N :: 121.02(4.96) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.25 R 0.07 M 0.07 E 0.05 C Shift Assignments>> C :: 174.833 CA :: 53.908 CB :: 28.884 CG :: 33.458 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.702 HA :: 4.524 HB2 :: 2.002 HB3 :: 1.976 HG2 :: 2.288 HG3 :: 2.288 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.142 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.45 R 0.01 K 0.01 C Shift Assignments>> C :: 175.862 CA :: 52.841 CB :: 40.009 CG :: 27.876 CD1 :: 24.972 CD2 :: 26.568 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.611 HA :: 4.504 HB2 :: 1.744 HB3 :: 1.582 HG :: 1.664 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 1.004 HD22 :: 1.004 HD23 :: 1.004 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.216 Ave N Shift Values>> N :: 121.98(4.07) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.4 P 0.26 C 0.15 W 0.04 I 0.03 K 0.02 R 0.01 M 0.01 E 0.01 Q 0.01 C Shift Assignments>> C :: 177.328 CA :: 62.181 CB :: 32.740 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.646 HB2 :: 2.113 HB3 :: 2.421 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.15 M 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 176.938 CA :: 57.536 CB :: 29.391 CG :: 34.028 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.998 HA :: 4.119 HB2 :: 2.156 HB3 :: 2.143 HG2 :: 2.573 HG3 :: 2.603 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.363 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.23 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.079 CA :: 43.994 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.603 HA2 :: 3.095 HA3 :: 4.684 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.423 Ave N Shift Values>> N :: 109.91(4.29) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 175.169 CA :: 59.961 CB :: 34.591 CG1 :: 19.616 CG2 :: 21.301 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.670 HA :: 4.536 HB :: 2.026 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.256 Ave N Shift Values>> N :: 121.02(4.96) 1.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.12 R 0.11 H 0.11 Q 0.11 K 0.1 I 0.05 M 0.03 V 0.02 C Shift Assignments>> C :: 176.661 CA :: 58.434 CB :: 29.711 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.704 HA :: 4.781 HB2 :: 3.061 HB3 :: 3.082 HE1 :: 10.025 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.915 NE1 :: 129.000 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.1 M 0.09 H 0.09 Q 0.07 C 0.07 R 0.06 K 0.06 W 0.05 N 0.05 E 0.04 A 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 172.621 CA :: 55.239 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.356 HA :: 4.814 HB2 :: 2.578 HB3 :: 2.690 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.992 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.41 E 0.29 M 0.24 Q 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 174.271 CA :: 55.120 CB :: 31.952 CG :: 36.393 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 5.085 HB2 :: 1.783 HB3 :: 1.678 HG2 :: 1.959 HG3 :: 1.959 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.2 R 0.17 C 0.12 D 0.12 K 0.02 F 0.02 Y 0.01 N 0.01 HN Overlap>> 1.F5 1.F5 1.R10 1.R10 C Shift Assignments>> C :: 176.473 CA :: 52.891 CB :: 43.699 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.098 HA :: 4.699 HB2 :: 3.022 HB3 :: 3.273 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.039 Ave N Shift Values>> N :: 120.73(4.2) 1.E71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.24 Q 0.19 K 0.18 M 0.05 I 0.02 R 0.01 C Shift Assignments>> C :: 175.516 CA :: 56.844 CB :: 29.327 CG :: 35.053 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.777 HA :: 4.058 HB2 :: 1.589 HB3 :: 1.589 HG2 :: 1.346(S) HG3 :: 1.408(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.930 Ave N Shift Values>> N :: 120.68(3.68) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 I 0.21 C 0.19 E 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 176.930 CA :: 59.454 CB :: 39.219 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.194 HA :: 4.208 HB2 :: 2.796 HB3 :: 2.994 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.158 Ave N Shift Values>> N :: 120.69(4.18) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 L 0.09 D 0.08 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 175.809 CA :: 57.610 CB :: 40.299 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.448 HA :: 4.666 HB2 :: 2.348 HB3 :: 3.131 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.760 Ave N Shift Values>> N :: 120.79(4.69) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 175.335 CA :: 46.121 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.500 HA2 :: 4.008 HA3 :: 4.107 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.910 Ave N Shift Values>> N :: 109.91(4.29) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.35 R 0.25 M 0.01 HN Overlap>> 1.R49 1.R49 C Shift Assignments>> C :: 176.281 CA :: 57.254 CB :: 32.190 CG :: 26.062 CD :: 29.430 CE :: 41.895 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.885 HA :: 4.890 HB2 :: 1.902 HB3 :: 1.811 HG2 :: 1.433 HG3 :: 1.433 HD2 :: 1.511 HD3 :: 1.581 HE2 :: 2.587 HE3 :: 2.713 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.404 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 S 0.37 C Shift Assignments>> C :: 170.972 CA :: 58.637 CB :: 67.213 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.348 HA :: 4.898 HB2 :: 3.817 HB3 :: 3.817 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.528 Ave N Shift Values>> N :: 116.3(3.95) 1.E77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.34 E 0.32 M 0.19 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 176.913 CA :: 55.074 CB :: 30.861 CG :: 35.983 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.176 HA :: 3.835 HB2 :: 1.047(S) HB3 :: 0.674(S) HG2 :: 0.750(A) HG3 :: 0.833(A) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.683 Ave N Shift Values>> N :: 120.68(3.68) 1.I78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 I 0.4 G 0.08 A 0.01 HN Overlap>> 1.Q28 1.Q28 C Shift Assignments>> C :: 173.776 CA :: 59.376 CB :: 42.701 CG1 :: 25.694 CG2 :: 18.656 CD1 :: 13.157 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.362 HA :: 5.039 HB :: 1.509 HG12 :: 0.699 HG13 :: 0.962 HG21 :: 0.558 HG22 :: 0.558 HG23 :: 0.558 HD11 :: -0.339(S) HD12 :: -0.339(S) HD13 :: -0.339(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.062 Ave N Shift Values>> N :: 121.6(4.72) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.19 D 0.17 C 0.1 F 0.1 Y 0.08 R 0.07 N 0.03 C Shift Assignments>> C :: 175.060 CA :: 55.610 CB :: 41.578 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.700 HA :: 5.247 HB2 :: 2.221 HB3 :: 2.970 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.368 Ave N Shift Values>> N :: 120.79(4.69) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.26 R 0.13 G 0.07 C Shift Assignments>> C :: 176.292 CA :: 54.670 CB :: 34.110 CD :: 43.061 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.306 HA :: 4.639 HB2 :: 1.607 HB3 :: 1.973 HG2 :: 1.358 HG3 :: 1.806 HD2 :: 3.331 HD3 :: 3.018 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.583 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.23 C 0.17 I 0.14 K 0.06 L 0.04 D 0.02 R 0.01 C Shift Assignments>> C :: 174.810 CA :: 59.200 CB :: 40.412 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.048 HA :: 4.395 HB2 :: 2.921 HB3 :: 3.104 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.392 Ave N Shift Values>> N :: 120.73(4.2) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 K 0.16 G 0.07 C Shift Assignments>> C :: 173.973 CA :: 55.526 CB :: 32.746 CG :: 27.129 CD :: 43.355 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.048 HA :: 5.036 HB2 :: 1.861 HB3 :: 1.832 HG2 :: 1.552 HG3 :: 1.485 HD2 :: 3.128 HD3 :: 3.128 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.126 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.47 A 0.23 C 0.17 L 0.1 R 0.01 C Shift Assignments>> C :: 174.269 CA :: 54.040 CB :: 45.418 CG :: 27.073 CD1 :: 26.393 CD2 :: 21.019 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.679 HA :: 4.566 HB2 :: 1.569 HB3 :: 0.744 HG :: 1.045 HD11 :: -0.245(S) HD12 :: -0.245(S) HD13 :: -0.245(S) HD21 :: -0.044 HD22 :: -0.044 HD23 :: -0.044 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.820 Ave N Shift Values>> N :: 121.98(4.07) 1.T84 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 :: 172.521 CA :: 61.212 CB :: 70.568 CG2 :: 21.261 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.520 HA :: 5.235 HB :: 3.873 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.553 Ave N Shift Values>> N :: 115.7(5.05) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.08 C Shift Assignments>> C :: 173.054 CA :: 50.777 CB :: 45.659 CG :: 27.099 CD1 :: 26.089 CD2 :: 25.945 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.695 HA :: 5.080 HB2 :: 1.532 HB3 :: 1.796 HG :: 1.627 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.038 Ave N Shift Values>> N :: 121.98(4.07) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 P 0.25 C 0.14 W 0.07 I 0.06 R 0.03 E 0.02 K 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 176.393 CA :: 61.890 CB :: 31.873 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.166 HB2 :: 1.986 HB3 :: 2.243 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 HN Overlap>> 1.T88 1.T88 C Shift Assignments>> C :: 175.395 CA :: 60.708 CB :: 35.369 CG1 :: 21.597 CG2 :: 21.567 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.311 HA :: 4.447 HB :: 1.932 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.255 Ave N Shift Values>> N :: 121.02(4.96) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.05 HN Overlap>> 1.V87 1.V87 C Shift Assignments>> C :: 173.344 CA :: 62.351 CB :: 70.058 CG2 :: 21.603 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.331 HA :: 4.920 HB :: 3.949 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.305 Ave N Shift Values>> N :: 115.7(5.05) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 175.289 CA :: 59.914 CB :: 38.297 CG1 :: 26.297 CG2 :: 18.899 CD1 :: 15.038 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.878 HA :: 4.136 HB :: 1.988 HG12 :: 0.860 HG13 :: 1.466 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.190 Ave N Shift Values>> N :: 121.6(4.72) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 C 0.18 D 0.17 F 0.16 N 0.14 L 0.07 I 0.02 E 0.02 C Shift Assignments>> C :: 175.120 CA :: 55.568 CB :: 39.246 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.032 HA :: 4.737 HB2 :: 2.326 HB3 :: 2.854 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.528 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.25 Q 0.22 K 0.15 E 0.06 R 0.02 C Shift Assignments>> C :: 173.132 CA :: 55.807 CB :: 30.761 CG :: 33.082 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.728 HA :: 4.170 HB2 :: 2.018 HB3 :: 2.020 HG2 :: 2.307 HG3 :: 2.401 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.458 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.23 L 0.17 C 0.08 V 0.01 C Shift Assignments>> C :: 176.134 CA :: 53.156 CB :: 21.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.341 HA :: 4.733 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.700 Ave N Shift Values>> N :: 123.23(3.7) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.756 CA :: 57.842 CB :: 64.568 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.381 HA :: 4.660 HB2 :: 3.814 HB3 :: 4.034 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.091 Ave N Shift Values>> N :: 116.3(3.95) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 C 0.02 I 0.01 C Shift Assignments>> C :: 179.344 CA :: 53.852 CB :: 17.759 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.499 HA :: 4.184 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.723 Ave N Shift Values>> N :: 123.23(3.7) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.458 CA :: 45.285 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.128 HA2 :: 3.732 HA3 :: 4.038 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.501 Ave N Shift Values>> N :: 109.91(4.29) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 A 0.32 M 0.19 C 0.11 K 0.02 C Shift Assignments>> C :: 177.097 CA :: 52.906 CB :: 22.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.873 HA :: 4.489 HB1 :: 1.646 HB2 :: 1.646 HB3 :: 1.646 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.540 Ave N Shift Values>> N :: 123.23(3.7) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.526 CA :: 59.601 CB :: 74.119 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.331 HA :: 5.166 HB :: 3.855 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.167 Ave N Shift Values>> N :: 115.7(5.05) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.27 C 0.15 C Shift Assignments>> C :: 175.694 CA :: 53.552 CB :: 45.361 CG :: 26.458 CD1 :: 25.052 CD2 :: 25.785 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.837 HA :: 4.849 HB2 :: 1.298 HB3 :: 1.306 HG :: 1.424 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.279 Ave N Shift Values>> N :: 121.98(4.07) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.922 CA :: 62.998 CB :: 69.246 CG2 :: 21.685 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.857 HA :: 4.843 HB :: 3.980 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.085 Ave N Shift Values>> N :: 115.7(5.05) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 173.693 CA :: 60.979 CB :: 34.058 CG1 :: 21.342 CG2 :: 20.901 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.376 HA :: 4.931 HB :: 1.853 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.097 Ave N Shift Values>> N :: 121.02(4.96) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.521 CA :: 60.363 CB :: 71.269 CG2 :: 21.746 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.207 HA :: 5.767 HB :: 3.790 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.433 Ave N Shift Values>> N :: 115.7(5.05) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.19 F 0.16 N 0.15 D 0.14 L 0.05 E 0.03 I 0.02 C Shift Assignments>> C :: 172.231 CA :: 55.607 CB :: 38.864 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.306 HA :: 4.863 HB2 :: 2.504 HB3 :: 2.935 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.968 Ave N Shift Values>> N :: 120.79(4.69) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.36 Q 0.12 E 0.05 K 0.01 C Shift Assignments>> C :: 173.867 CA :: 54.780 CB :: 32.732 CG :: 33.655 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.266 HA :: 5.007 HB2 :: 1.893 HB3 :: 1.551 HG2 :: 2.528 HG3 :: 2.372 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.163 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 170.442 CA :: 44.962 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.885 HA2 :: 4.601 HA3 :: 3.261 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.034 Ave N Shift Values>> N :: 109.91(4.29) 1.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 M 0.16 K 0.15 R 0.12 W 0.1 H 0.09 E 0.08 Q 0.05 V 0.03 C Shift Assignments>> C :: 171.492 CA :: 56.961 CB :: 32.120 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.615 HA :: 5.168 HB2 :: 1.765 HB3 :: 2.393 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.620 Ave N Shift Values>> N :: 119.95(4.79) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 L 0.16 C 0.13 M 0.1 C Shift Assignments>> C :: 179.442 CA :: 50.351 CB :: 21.967 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.000 HA :: 4.802 HB1 :: 1.489 HB2 :: 1.489 HB3 :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.034 Ave N Shift Values>> N :: 123.23(3.7) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 C 0.15 K 0.14 L 0.09 I 0.07 D 0.05 R 0.02 C Shift Assignments>> C :: 177.385 CA :: 58.264 CB :: 40.876 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.143 HA :: 4.672 HB2 :: 2.550 HB3 :: 2.689 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.223 Ave N Shift Values>> N :: 120.73(4.2) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 C Shift Assignments>> C :: 177.703 CA :: 53.140 CB :: 18.462 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.157 HA :: 4.373 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.220 Ave N Shift Values>> N :: 123.23(3.7) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 172.708 CA :: 46.511 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.962 HA2 :: 4.507 HA3 :: 3.935 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.214 Ave N Shift Values>> N :: 109.91(4.29) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.18 Y 0.16 C 0.14 L 0.13 D 0.07 R 0.04 I 0.04 C Shift Assignments>> C :: 170.780 CA :: 57.618 CB :: 41.151 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.699 HA :: 4.437 HB2 :: 2.191 HB3 :: 2.025 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.753 Ave N Shift Values>> N :: 120.69(4.18) 1.C111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.21 R 0.19 C 0.15 L 0.13 I 0.12 Q 0.06 W 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 173.861 CA :: 58.272 CB :: 25.840 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.612 HA :: 4.446 HB2 :: 0.664(S) HB3 :: 1.832 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.553 Ave N Shift Values>> N :: 119.95(4.79) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.24 F 0.17 I 0.13 E 0.12 M 0.01 D 0.01 N 0.01 C Shift Assignments>> C :: 173.691 CA :: 58.156 CB :: 37.894 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.630 HA :: 4.235 HB2 :: 3.156 HB3 :: 3.174 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.617 Ave N Shift Values>> N :: 120.79(4.69) 1.P113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 V 0.34 I 0.08 C 0.08 W 0.03 C Shift Assignments>> C :: 175.798 CA :: 63.511 CB :: 31.502 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.342 HB2 :: 1.637 HB3 :: 1.973 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 M 0.34 E 0.14 Q 0.03 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 174.478 CA :: 54.206 CB :: 32.974 CG :: 35.570 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.677 HA :: 4.337 HB2 :: 0.898(S) HB3 :: 1.320 HG2 :: 2.025 HG3 :: 2.107 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.991 Ave N Shift Values>> N :: 120.68(3.68) 1.T116 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 :: 174.037 CA :: 61.743 CB :: 71.228 CG2 :: 21.514 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.255 HA :: 5.110 HB :: 3.701 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.017 Ave N Shift Values>> N :: 115.7(5.05) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.29 R 0.16 G 0.08 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 175.140 CA :: 52.750 CB :: 35.647 CG :: 24.694 CD :: 28.727 CE :: 42.750 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.358 HA :: 4.695 HB2 :: 1.288 HB3 :: 1.581 HG2 :: 1.036 HG3 :: 1.159 HD2 :: 1.653 HD3 :: 1.835 HE2 :: 3.097 HE3 :: 3.179 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.861 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.735 CA :: 62.465 CB :: 69.692 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.686 HA :: 4.745 HB :: 3.887 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.693 Ave N Shift Values>> N :: 115.7(5.05) 1.V119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 V 0.34 A 0.02 C Shift Assignments>> C :: 172.959 CA :: 58.529 CB :: 33.368 CG1 :: 19.640 CG2 :: 20.725 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.252 HA :: 3.965 HB :: 1.751 HG11 :: -0.140(S) HG12 :: -0.140(S) HG13 :: -0.140(S) HG21 :: 0.556 HG22 :: 0.556 HG23 :: 0.556 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.373 Ave N Shift Values>> N :: 121.02(4.96) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 P 0.31 C 0.12 I 0.07 W 0.06 R 0.02 E 0.01 K 0.01 H 0.01 M 0.01 C Shift Assignments>> C :: 175.561 CA :: 62.361 CB :: 31.690 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.518 HB2 :: 1.963 HB3 :: 2.182 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.15 G 0.14 A 0.04 R 0.02 HN Overlap>> 1.F13 1.F13 C Shift Assignments>> C :: 177.285 CA :: 52.627 CB :: 43.389 CG :: 26.433 CD1 :: 25.422 CD2 :: 23.327 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.768 HA :: 4.576 HB2 :: 1.395 HB3 :: 1.071 HG :: 1.375 HD11 :: 0.493 HD12 :: 0.493 HD13 :: 0.493 HD21 :: 0.524 HD22 :: 0.524 HD23 :: 0.524 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.912 Ave N Shift Values>> N :: 121.98(4.07) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.145 CA :: 58.131 CB :: 63.850 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.295 HA :: 4.377 HB2 :: 3.660 HB3 :: 3.811 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.433 Ave N Shift Values>> N :: 116.3(3.95) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.12 I 0.06 K 0.04 Q 0.03 C Shift Assignments>> C :: 176.305 CA :: 57.648 CB :: 30.819 CG :: 36.287 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.201 HA :: 3.648 HB2 :: 1.875 HB3 :: 1.796 HG2 :: 2.012 HG3 :: 2.401 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.021 Ave N Shift Values>> N :: 120.68(3.68) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.243 CA :: 61.461 CB :: 35.367 CG1 :: 20.971 CG2 :: 20.986 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.777 HA :: 4.152 HB :: 1.536 HG11 :: 0.313 HG12 :: 0.313 HG13 :: 0.313 HG21 :: 0.537 HG22 :: 0.537 HG23 :: 0.537 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.437 Ave N Shift Values>> N :: 121.02(4.96) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.A126 1.A126 C Shift Assignments>> C :: 175.607 CA :: 61.969 CB :: 32.603 CG1 :: 21.316 CG2 :: 20.642 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.643 HA :: 4.193 HB :: 2.041 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.639 Ave N Shift Values>> N :: 121.02(4.96) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 177.806 CA :: 52.352 CB :: 19.169 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.592 HA :: 4.536 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.688 Ave N Shift Values>> N :: 123.23(3.7) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.17 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.086 CA :: 53.078 CB :: 38.632 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.627 HA :: 4.671 HB2 :: 2.755 HB3 :: 2.755 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.330 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.17 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 174.688 CA :: 53.121 CB :: 38.632 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.419 HA :: 4.665 HB2 :: 2.756 HB3 :: 2.756 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.499 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 176.902 CA :: 52.198 CB :: 19.576 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.121 HA :: 4.265 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.050 Ave N Shift Values>> N :: 123.23(3.7) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> CA :: 50.239 CB :: 18.229 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.163 HA :: 4.561 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.724 Ave N Shift Values>> N :: 123.23(3.7) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.38 V 0.37 C 0.1 I 0.05 W 0.03 R 0.01 C Shift Assignments>> C :: 176.740 CA :: 62.941 CB :: 32.051 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.444 HB2 :: 1.862 HB3 :: 2.252 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.25 M 0.07 R 0.06 E 0.05 C Shift Assignments>> CA :: 53.480 CB :: 29.031 CG :: 33.529 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.416 HA :: 4.579 HB2 :: 2.076 HB3 :: 1.902 HG2 :: 2.378 HG3 :: 2.396 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.687 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.38 V 0.37 C 0.1 I 0.05 W 0.03 R 0.01 C Shift Assignments>> C :: 176.833 CA :: 62.944 CB :: 32.037 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.390 HB2 :: 1.913 HB3 :: 2.249 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.734 CA :: 62.640 CB :: 32.884 CG1 :: 20.990 CG2 :: 20.990 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.230 HA :: 4.081 HB :: 2.064 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.463 Ave N Shift Values>> N :: 121.02(4.96) 1.G135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 9 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 130 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 139 #Suspicious: 0 C Shift Results: #Consistent: 489 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 735 #Duplicate: 0 #Unknown: 0 #Suspicious: 25 #Anomalous: 3 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A19 HB1 = -0.428(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.7593e-13 1.A19 HB2 = -0.428(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.7593e-13 1.A19 HB3 = -0.428(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.7593e-13 1.W35 HE1 = 5.621(A), Expected = 10.13, Std = 0.5300, ChiSquare = 1.7765e-17 1.L43 HD11 = -0.129(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6962e-04 1.L43 HD12 = -0.129(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6962e-04 1.L43 HD13 = -0.129(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6962e-04 1.L43 HD21 = -0.216(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.9082e-04 1.L43 HD22 = -0.216(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.9082e-04 1.L43 HD23 = -0.216(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.9082e-04 1.R45 HB3 = 0.645(S), Expected = 1.78, Std = 0.2800, ChiSquare = 5.0442e-05 1.E71 HG2 = 1.346(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.4224e-06 1.E71 HG3 = 1.408(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.7451e-05 1.E77 HB2 = 1.047(S), Expected = 2.04, Std = 0.2200, ChiSquare = 6.3725e-06 1.E77 HB3 = 0.674(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.8654e-09 1.E77 HG2 = 0.750(A), Expected = 2.31, Std = 0.2100, ChiSquare = 1.0978e-13 1.E77 HG3 = 0.833(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.0166e-12 1.I78 HD11 = -0.339(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.3353e-04 1.I78 HD12 = -0.339(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.3353e-04 1.I78 HD13 = -0.339(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.3353e-04 1.L83 HD11 = -0.245(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7042e-04 1.L83 HD12 = -0.245(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7042e-04 1.L83 HD13 = -0.245(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7042e-04 1.C111 HB2 = 0.664(S), Expected = 2.95, Std = 0.4300, ChiSquare = 1.0591e-07 1.E115 HB2 = 0.898(S), Expected = 2.04, Std = 0.2200, ChiSquare = 2.0927e-07 1.V119 HG11 = -0.140(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.8383e-04 1.V119 HG12 = -0.140(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.8383e-04 1.V119 HG13 = -0.140(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.8383e-04