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.Y2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N6 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.34 L 0.26 G 0.11 F 0.07 C 0.07 Y 0.04 D 0.04 K 0.02 C Shift Assignments>> C :: 176.765 CA :: 57.087 CB :: 43.837 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>> HA :: 4.842 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) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.38 R 0.13 C Shift Assignments>> C :: 178.834 CA :: 59.821 CB :: 33.471 CG :: 25.832 CD :: 29.639 CE :: 41.893 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 :: 9.967 HA :: 4.408 HB2 :: 2.567 HB3 :: 2.567 HG2 :: 1.965 HG3 :: 2.076 HD2 :: 2.255 HD3 :: 2.255 HE2 :: 3.445 HE3 :: 3.445 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 :: 120.766 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.34 C 0.07 I 0.06 V 0.04 L 0.01 C Shift Assignments>> C :: 179.201 CA :: 56.184 CB :: 19.213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.454 HA :: 3.657 HB1 :: 1.880 HB2 :: 1.880 HB3 :: 1.880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.913 Ave N Shift Values>> N :: 123.23(3.54) 1.I9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.212 CA :: 66.667 CB :: 37.883 CG1 :: 29.466 CG2 :: 16.973 CD1 :: 13.993 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 :: 8.077 HA :: 3.372 HB :: 2.156 HG12 :: -0.141(S) HG13 :: -0.141 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 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 :: 120.279 Ave N Shift Values>> N :: 121.46(4.28) 1.Q10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 R 0.4 K 0.08 P 0.01 Q 0.01 C Shift Assignments>> C :: 178.983 CA :: 58.927 CB :: 26.825 CG :: 30.857 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.956 HA :: 2.538(S) HB2 :: 2.052 HB3 :: 2.052 HG2 :: 0.153(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.085 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 R 0.18 L 0.17 F 0.15 Y 0.1 C 0.07 D 0.05 I 0.01 C Shift Assignments>> C :: 177.280 CA :: 57.884 CB :: 42.418 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 :: 8.656 HA :: 4.172 HB2 :: 2.904 HB3 :: 2.762 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 :: 122.490 Ave N Shift Values>> N :: 120.65(3.86) 1.M12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.3 Q 0.15 R 0.09 M 0.01 P 0.01 C Shift Assignments>> C :: 178.438 CA :: 59.586 CB :: 32.472 CG :: 28.979 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 :: 8.369 HA :: 2.783(S) HB2 :: 1.691 HB3 :: 1.691 HG2 :: 1.605 HG3 :: 1.605 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.696 Ave N Shift Values>> N :: 120.09(3.57) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 178.334 CA :: 64.492 CB :: 36.917 CG1 :: 28.918 CG2 :: 17.933 CD1 :: 12.280 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 :: 8.277 HA :: 3.676 HB :: 2.169 HG12 :: 1.805 HG13 :: 1.805 HG21 :: 1.119 HG22 :: 1.119 HG23 :: 1.119 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 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 :: 116.259 Ave N Shift Values>> N :: 121.46(4.28) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 178.327 CA :: 62.524 CB :: 67.962 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.652 HA :: 3.943 HB2 :: 3.716 HB3 :: 3.716 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 :: 116.169 Ave N Shift Values>> N :: 116.28(3.52) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> C :: 178.535 CA :: 59.313 CB :: 32.408 CG :: 25.725 CD :: 28.605 CE :: 42.008 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 :: 8.295 HA :: 3.915 HB2 :: 1.693 HB3 :: 1.524 HG2 :: 1.204 HG3 :: 1.151 HD2 :: 1.497 HD3 :: 1.497 HE2 :: 2.926 HE3 :: 2.926 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 :: 120.774 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.14 H 0.14 C 0.13 Q 0.1 M 0.07 K 0.07 V 0.01 C Shift Assignments>> C :: 176.713 CA :: 57.244 CB :: 30.598 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 :: 7.950 HA :: 4.287 HB2 :: 2.681 HB3 :: 2.267 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 :: 114.977 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.14 R 0.14 K 0.14 H 0.13 W 0.1 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.938 CA :: 56.274 CB :: 31.795 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 :: 8.476 HA :: 4.809 HB2 :: 3.287 HB3 :: 3.041 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 :: 114.656 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.705 CA :: 44.942 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.648 HA2 :: 4.779 HA3 :: 3.992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.053 Ave N Shift Values>> N :: 109.67(3.87) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.27 I 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 178.558 CA :: 60.183 CB :: 29.716 CG :: 36.878 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 :: 9.043 HA :: 4.181 HB2 :: 2.217 HB3 :: 2.142 HG2 :: 2.451 HG3 :: 2.451 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 :: 122.763 Ave N Shift Values>> N :: 120.67(3.48) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.16 D 0.08 I 0.07 L 0.05 N 0.05 E 0.01 C Shift Assignments>> C :: 179.677 CA :: 57.096 CB :: 39.072 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 :: 8.967 HA :: 4.397 HB2 :: 2.707 HB3 :: 2.648 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 :: 118.948 Ave N Shift Values>> N :: 120.65(3.86) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 176.151 CA :: 66.448 CB :: 67.345 CG2 :: 22.615 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 :: 7.827 HA :: 3.902 HB :: 4.033 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 :: 120.553 Ave N Shift Values>> N :: 115.42(4.75) 1.W22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.16 I 0.16 E 0.1 K 0.1 H 0.07 Q 0.07 R 0.06 V 0.02 M 0.01 C Shift Assignments>> C :: 176.204 CA :: 60.065 CB :: 29.142 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 :: 7.793 HA :: 4.523 HB2 :: 3.535 HB3 :: 3.231 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 :: 121.059 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.28 I 0.15 K 0.11 Q 0.08 C Shift Assignments>> C :: 178.899 CA :: 59.261 CB :: 28.712 CG :: 35.712 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 :: 8.319 HA :: 3.437 HB2 :: 2.023 HB3 :: 2.023 HG2 :: 2.444 HG3 :: 2.444 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 :: 117.368 Ave N Shift Values>> N :: 120.67(3.48) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 181.041 CA :: 54.989 CB :: 17.951 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.527 HA :: 4.041 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.021 Ave N Shift Values>> N :: 123.23(3.54) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 176.130 CA :: 65.870 CB :: 37.436 CG1 :: 31.274 CG2 :: 16.712 CD1 :: 15.575 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 :: 7.885 HA :: 3.250 HB :: 1.856 HG12 :: 1.883 HG13 :: 0.702 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 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 :: 122.184 Ave N Shift Values>> N :: 121.46(4.28) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.12 G 0.01 C Shift Assignments>> C :: 178.448 CA :: 60.314 CB :: 32.034 CG :: 25.401 CD :: 29.588 CE :: 42.334 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 :: 8.267 HA :: 3.180 HB2 :: 1.211 HB3 :: 0.687(S) HG2 :: 0.856 HG3 :: 0.856 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 2.905 HE3 :: 2.905 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 :: 121.216 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.24 R 0.07 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 180.141 CA :: 58.943 CB :: 28.283 CG :: 33.710 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.647 HA :: 3.915 HB2 :: 2.049 HB3 :: 2.049 HG2 :: 2.261 HG3 :: 2.460 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.048 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.13 C Shift Assignments>> C :: 177.811 CA :: 58.504 CB :: 31.695 CG :: 24.506 CD :: 28.267 CE :: 41.588 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 :: 8.010 HA :: 4.013 HB2 :: 1.856 HB3 :: 1.856 HG2 :: 1.467 HG3 :: 1.467 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.873 HE3 :: 2.873 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.901 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 C Shift Assignments>> C :: 176.643 CA :: 52.440 CB :: 19.510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.292 HA :: 4.198 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.819 Ave N Shift Values>> N :: 123.23(3.54) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.297 CA :: 46.280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.787 HA2 :: 4.092 HA3 :: 4.092 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.352 Ave N Shift Values>> N :: 109.67(3.87) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.23 R 0.06 A 0.05 C Shift Assignments>> C :: 176.900 CA :: 53.475 CB :: 41.532 CG :: 27.713 CD1 :: 26.285 CD2 :: 23.300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.813 HA :: 4.783 HB2 :: 1.926 HB3 :: 1.613 HG :: 1.261 HD11 :: 1.656 HD12 :: 1.656 HD13 :: 1.656 HD21 :: 1.174 HD22 :: 1.174 HD23 :: 1.174 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 :: 119.731 Ave N Shift Values>> N :: 121.86(3.9) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.12 K 0.09 Q 0.06 M 0.01 C Shift Assignments>> C :: 176.449 CA :: 59.173 CB :: 29.430 CG :: 35.956 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 :: 8.877 HA :: 3.857 HB2 :: 2.039 HB3 :: 1.876 HG2 :: 2.210 HG3 :: 1.991 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.512 Ave N Shift Values>> N :: 120.67(3.48) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.15 F 0.13 Y 0.11 C 0.07 K 0.03 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> C :: 175.986 CA :: 54.711 CB :: 40.396 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 :: 8.617 HA :: 4.507 HB2 :: 2.745 HB3 :: 2.637 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 :: 116.252 Ave N Shift Values>> N :: 120.65(3.86) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.028 CA :: 60.540 CB :: 38.084 CG1 :: 27.044 CG2 :: 16.384 CD1 :: 13.317 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 :: 7.641 HA :: 4.118 HB :: 1.876 HG12 :: 1.236 HG13 :: 1.563 HG21 :: 0.357 HG22 :: 0.357 HG23 :: 0.357 HD11 :: 1.067 HD12 :: 1.067 HD13 :: 1.067 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 :: 121.206 Ave N Shift Values>> N :: 121.46(4.28) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 F 0.18 D 0.17 K 0.15 Y 0.14 C 0.07 N 0.02 I 0.01 R 0.01 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> C :: 176.094 CA :: 56.403 CB :: 41.090 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 :: 8.625 HA :: 4.434 HB2 :: 2.730 HB3 :: 2.544 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 :: 127.729 Ave N Shift Values>> N :: 120.65(3.86) 1.F36 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 0.08 C 0.07 N 0.07 I 0.01 C Shift Assignments>> C :: 173.991 CA :: 55.663 CB :: 40.698 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 :: 7.346 HA :: 4.795 HB2 :: 3.329 HB3 :: 3.052 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 :: 114.117 Ave N Shift Values>> N :: 120.45(4.18) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 K 0.12 C 0.11 L 0.1 I 0.07 D 0.05 C Shift Assignments>> C :: 175.426 CA :: 58.384 CB :: 40.937 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 :: 9.575 HA :: 4.986 HB2 :: 3.243 HB3 :: 3.165 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.748 Ave N Shift Values>> N :: 120.45(4.18) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 179.132 CA :: 63.019 CB :: 32.354 CG1 :: 21.572 CG2 :: 21.897 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 :: 9.153 HA :: 4.410 HB :: 2.561 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 125.894 Ave N Shift Values>> N :: 121.14(4.54) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.1 P 0.08 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 174.823 CA :: 47.742 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.360 HA2 :: 4.555 HA3 :: 4.110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.737 Ave N Shift Values>> N :: 109.67(3.87) 1.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.2 M 0.05 Q 0.04 C Shift Assignments>> C :: 175.875 CA :: 54.715 CB :: 31.011 CG :: 29.133 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 :: 8.029 HA :: 5.106 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 1.594 HG3 :: 1.594 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 :: 112.850 Ave N Shift Values>> N :: 120.09(3.57) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.32 E 0.27 Q 0.05 C Shift Assignments>> C :: 174.679 CA :: 55.271 CB :: 31.899 CG :: 35.858 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 :: 8.195 HA :: 4.555 HB2 :: 2.321 HB3 :: 2.192 HG2 :: 2.072 HG3 :: 2.001 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.615 Ave N Shift Values>> N :: 120.67(3.48) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C 0.01 HN Overlap>> 1.D35 1.D35 C Shift Assignments>> C :: 176.975 CA :: 52.332 CB :: 18.708 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.684 HA :: 4.431 HB1 :: 1.071 HB2 :: 1.071 HB3 :: 1.071 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.655 Ave N Shift Values>> N :: 123.23(3.54) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.18 K 0.18 L 0.13 C 0.09 D 0.07 I 0.04 R 0.02 HN Overlap>> 1.Y181 1.Y181 C Shift Assignments>> C :: 176.502 CA :: 57.906 CB :: 41.246 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 :: 8.305 HA :: 4.947 HB2 :: 3.835 HB3 :: 3.565 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.938 Ave N Shift Values>> N :: 120.52(4.2) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.298 CB :: 63.461 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.597 HA :: 4.715 HB2 :: 4.492 HB3 :: 4.262 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 116.28(3.52) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.3 Y 0.28 I 0.15 C 0.14 L 0.04 D 0.02 K 0.02 C Shift Assignments>> C :: 177.555 CA :: 59.076 CB :: 40.189 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>> HA :: 5.190 HB2 :: 3.500 HB3 :: 3.500 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) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.09 K 0.08 I 0.05 N 0.01 C Shift Assignments>> C :: 177.703 CA :: 57.689 CB :: 40.663 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 :: 8.828 HA :: 5.109 HB2 :: 2.614 HB3 :: 2.780 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 :: 118.326 Ave N Shift Values>> N :: 120.65(3.86) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.Y49 1.Y49 C Shift Assignments>> C :: 177.921 CA :: 67.270 CB :: 32.884 CG1 :: 21.377 CG2 :: 23.167 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 :: 7.980 HA :: 4.047 HB :: 2.741 HG11 :: 1.354 HG12 :: 1.354 HG13 :: 1.354 HG21 :: 1.684 HG22 :: 1.684 HG23 :: 1.684 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 :: 119.002 Ave N Shift Values>> N :: 121.14(4.54) 1.T48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.690 CA :: 67.722 CB :: 70.091 CG2 :: 21.951 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 :: 7.786 HA :: 4.361 HB :: 3.464 HG21 :: 1.952(S) HG22 :: 1.952(S) HG23 :: 1.952(S) 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 :: 115.700 Ave N Shift Values>> N :: 115.42(4.75) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.23 Y 0.12 F 0.08 E 0.02 V 0.01 HN Overlap>> 1.V160 1.V47 1.V160 1.V47 C Shift Assignments>> C :: 180.346 CA :: 62.117 CB :: 37.430 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 :: 7.974 HA :: 4.407 HB2 :: 3.486 HB3 :: 3.486 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.107 Ave N Shift Values>> N :: 120.52(4.2) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 W 0.14 C 0.13 Q 0.13 E 0.13 H 0.11 R 0.09 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 178.829 CA :: 57.913 CB :: 28.986 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.453 HA :: 4.882 HB2 :: 3.671 HB3 :: 3.465 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 :: 119.270 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.43 G 0.09 C Shift Assignments>> C :: 178.375 CA :: 59.074 CB :: 43.266 CG :: 25.932 CD1 :: 24.401 CD2 :: 22.899 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 :: 8.546 HA :: 4.153 HB2 :: 1.648 HB3 :: 1.648 HG :: 1.446 HD11 :: 1.107 HD12 :: 1.107 HD13 :: 1.107 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.258 Ave N Shift Values>> N :: 121.86(3.9) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.232 CA :: 67.586 CB :: 31.919 CG1 :: 21.269 CG2 :: 22.288 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 :: 8.369 HA :: 3.468 HB :: 2.302 HG11 :: 1.092 HG12 :: 1.092 HG13 :: 1.092 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 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 :: 119.005 Ave N Shift Values>> N :: 121.14(4.54) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 176.729 CA :: 47.446 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.493 HA2 :: 4.080 HA3 :: 3.884 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.636 Ave N Shift Values>> N :: 109.67(3.87) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.16 C 0.07 L 0.06 V 0.02 HN Overlap>> 1.L152 1.L152 C Shift Assignments>> C :: 179.249 CA :: 54.858 CB :: 20.060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.407 HA :: 4.245 HB1 :: 1.504 HB2 :: 1.504 HB3 :: 1.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.756 Ave N Shift Values>> N :: 123.23(3.54) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.03 C 0.02 C Shift Assignments>> C :: 178.686 CA :: 55.002 CB :: 18.144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.751 HA :: 3.843 HB1 :: 1.425 HB2 :: 1.425 HB3 :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.533 Ave N Shift Values>> N :: 123.23(3.54) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.903 CB :: 63.137 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.219 HA :: 4.279 HB2 :: 3.909 HB3 :: 4.108 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 :: 112.936 Ave N Shift Values>> N :: 116.28(3.52) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 I 0.12 K 0.05 Q 0.03 M 0.03 C Shift Assignments>> C :: 179.147 CA :: 59.423 CB :: 29.935 CG :: 36.201 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 :: 7.548 HA :: 3.988 HB2 :: 2.144 HB3 :: 2.041 HG2 :: 2.379 HG3 :: 2.379 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 :: 120.048 Ave N Shift Values>> N :: 120.67(3.48) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.260 CA :: 66.067 CB :: 32.410 CG1 :: 22.639 CG2 :: 20.799 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 :: 8.442 HA :: 3.612 HB :: 1.750 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 119.400 Ave N Shift Values>> N :: 121.14(4.54) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.28 A 0.22 R 0.01 C Shift Assignments>> C :: 177.893 CA :: 55.129 CB :: 41.814 CG :: 26.709 CD1 :: 24.889 CD2 :: 21.053 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 :: 8.538 HA :: 4.061 HB2 :: 1.121 HB3 :: 1.668 HG :: 1.498 HD11 :: 0.390 HD12 :: 0.390 HD13 :: 0.390 HD21 :: 0.274 HD22 :: 0.274 HD23 :: 0.274 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 :: 115.277 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.394 CA :: 46.795 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.623 HA2 :: 3.792 HA3 :: 3.792 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.003 Ave N Shift Values>> N :: 109.67(3.87) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.37 A 0.1 G 0.02 HN Overlap>> 1.Y83 1.Y83 C Shift Assignments>> C :: 172.992 CA :: 51.912 CB :: 35.735 CG :: 23.755 CD :: 29.017 CE :: 41.643 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 :: 7.350 HA :: 4.780 HB2 :: 1.473 HB3 :: 1.142 HG2 :: 1.176 HG3 :: 1.176 HD2 :: 1.401 HD3 :: 1.401 HE2 :: 2.847 HE3 :: 2.847 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.866 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.159 CA :: 62.589 CB :: 32.559 CG :: 27.719 CD :: 50.597 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 :: 4.288 HB2 :: 2.427 HB3 :: 1.753 HG2 :: 2.009 HG3 :: 2.009 HD2 :: 3.829 HD3 :: 3.568 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.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.23 I 0.07 C 0.03 C Shift Assignments>> C :: 179.238 CA :: 55.961 CB :: 17.971 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.994 HA :: 3.735 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.701 Ave N Shift Values>> N :: 123.23(3.54) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.29 E 0.24 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.576 CA :: 60.566 CB :: 29.005 CG :: 36.142 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 :: 9.198 HA :: 3.591 HB2 :: 1.911 HB3 :: 1.773 HG2 :: 2.116 HG3 :: 2.116 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 :: 114.710 Ave N Shift Values>> N :: 120.67(3.48) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.14 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.055 CA :: 59.076 CB :: 29.419 CG :: 36.265 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 :: 6.759 HA :: 3.694 HB2 :: 1.897 HB3 :: 1.897 HG2 :: 2.155 HG3 :: 2.155 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 :: 115.851 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 0.38 K 0.04 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 178.434 CA :: 57.295 CB :: 41.787 CG :: 26.028 CD1 :: 23.448 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.314 HA :: 3.798 HB2 :: 1.148 HB3 :: 1.800 HG :: 0.656 HD11 :: 0.610 HD12 :: 0.610 HD13 :: 0.610 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 :: 120.825 Ave N Shift Values>> N :: 121.86(3.9) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.38 L 0.13 G 0.06 K 0.01 C Shift Assignments>> C :: 178.484 CA :: 57.684 CB :: 43.341 CG :: 28.806 CD1 :: 26.726 CD2 :: 24.491 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 :: 8.131 HA :: 4.107 HB2 :: 2.616 HB3 :: 2.616 HG :: 1.700 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.331 Ave N Shift Values>> N :: 121.86(3.9) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.R155 1.L86 1.R155 1.L86 C Shift Assignments>> C :: 178.017 CA :: 65.157 CB :: 38.179 CG1 :: 29.226 CG2 :: 16.577 CD1 :: 13.752 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 :: 7.644 HA :: 2.887 HB :: 1.250 HG12 :: 0.489 HG13 :: 0.489 HG21 :: 0.223 HG22 :: 0.223 HG23 :: 0.223 HD11 :: 0.457 HD12 :: 0.457 HD13 :: 0.457 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 :: 121.509 Ave N Shift Values>> N :: 121.46(4.28) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.34 I 0.02 C 0.01 C Shift Assignments>> C :: 180.325 CA :: 54.584 CB :: 17.090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.102 HA :: 3.533 HB1 :: 1.145 HB2 :: 1.145 HB3 :: 1.145 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.174 Ave N Shift Values>> N :: 123.23(3.54) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 Y 0.26 F 0.22 C 0.19 E 0.02 C Shift Assignments>> C :: 175.244 CA :: 59.774 CB :: 38.587 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 :: 8.270 HA :: 3.989 HB2 :: 2.730 HB3 :: 2.454 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.638 Ave N Shift Values>> N :: 120.45(4.18) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.735 CA :: 45.732 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.561 HA2 :: 3.740 HA3 :: 3.740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.869 Ave N Shift Values>> N :: 109.67(3.87) 1.E72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 E 0.25 I 0.15 K 0.11 Q 0.09 R 0.01 C Shift Assignments>> CA :: 59.075 CB :: 28.246 CG :: 35.634 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 :: 6.096(S) HA :: 2.163(S) HB2 :: 1.253(S) HB3 :: 1.117(S) HG2 :: 1.402(S) HG3 :: 1.280(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.811 Ave N Shift Values>> N :: 120.67(3.48) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.21 F 0.13 Y 0.13 C 0.1 L 0.08 I 0.01 C Shift Assignments>> C :: 180.303 CA :: 54.506 CB :: 39.169 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 :: 7.093 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.739 Ave N Shift Values>> N :: 120.52(4.2) 1.W74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.05 C Shift Assignments>> C :: 176.483 CA :: 64.373 CB :: 67.734 CG2 :: 21.166 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>> HA :: 3.190 HB :: 3.324 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 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) 1.S79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.018 CB :: 62.641 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 5.796(S) HA :: 3.483 HB2 :: 3.528 HB3 :: 3.528 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 :: 114.105 Ave N Shift Values>> N :: 116.28(3.52) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.09 I 0.07 Q 0.06 M 0.04 HN Overlap>> 1.L66 1.L66 C Shift Assignments>> C :: 178.129 CA :: 57.944 CB :: 29.678 CG :: 36.091 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 :: 7.379 HA :: 3.797 HB2 :: 1.634 HB3 :: 1.521 HG2 :: 1.969 HG3 :: 1.836 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 :: 120.749 Ave N Shift Values>> N :: 120.67(3.48) 1.E81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.21 E 0.14 R 0.05 I 0.01 C Shift Assignments>> C :: 175.842 CA :: 55.339 CB :: 28.114 CG :: 34.763 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 :: 7.285 HA :: 3.877 HB2 :: 1.965 HB3 :: 0.861(S) HG2 :: 1.281(S) HG3 :: 1.143(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.771 Ave N Shift Values>> N :: 120.67(3.48) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 175.733 CA :: 45.154 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.007 HA2 :: 3.823 HA3 :: 3.359 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.242 Ave N Shift Values>> N :: 109.67(3.87) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.12 D 0.03 L 0.02 E 0.02 N 0.02 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 176.400 CA :: 57.901 CB :: 38.721 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 :: 7.413 HA :: 4.727 HB2 :: 2.900 HB3 :: 2.900 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 :: 117.824 Ave N Shift Values>> N :: 120.52(4.2) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 P 0.27 A 0.11 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 176.921 CA :: 48.115 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.662 HA2 :: 4.100 HA3 :: 3.699 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.126 Ave N Shift Values>> N :: 109.67(3.87) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.29 I 0.25 K 0.05 Q 0.02 C Shift Assignments>> C :: 179.602 CA :: 59.587 CB :: 28.815 CG :: 36.470 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 :: 8.903 HA :: 4.283 HB2 :: 2.024 HB3 :: 2.024 HG2 :: 2.295 HG3 :: 2.247 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 :: 122.219 Ave N Shift Values>> N :: 120.67(3.48) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 C 0.21 F 0.21 I 0.16 E 0.07 M 0.01 D 0.01 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 178.010 CA :: 58.589 CB :: 38.025 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.617 HA :: 4.528 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 :: 121.587 Ave N Shift Values>> N :: 121.86(3.9) 1.L87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.45 R 0.19 L 0.15 G 0.11 K 0.08 C Shift Assignments>> C :: 180.706 CA :: 59.460 CB :: 43.553 CG :: 27.992 CD1 :: 25.951 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>> HA :: 5.802 HB2 :: 2.125 HB3 :: 2.125 HG :: 2.752(S) HD11 :: 2.616(A) HD12 :: 2.616(A) HD13 :: 2.616(A) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 I 0.03 C 0.03 C Shift Assignments>> C :: 180.482 CA :: 55.091 CB :: 18.448 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.593 HA :: 4.743 HB1 :: 1.742 HB2 :: 1.742 HB3 :: 1.742 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.938 Ave N Shift Values>> N :: 123.23(3.54) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.323 CA :: 60.717 CB :: 64.013 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.372 HA :: 4.677 HB2 :: 4.404 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 :: 112.818 Ave N Shift Values>> N :: 116.28(3.52) 1.A90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.66 L 0.17 C 0.08 M 0.04 V 0.01 C Shift Assignments>> C :: 177.489 CA :: 54.127 CB :: 20.864 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.329 HA :: 5.355 HB1 :: 3.045(S) HB2 :: 3.045(S) HB3 :: 3.045(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.544 Ave N Shift Values>> N :: 123.23(3.54) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.347 CA :: 45.924 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.867 HA2 :: 5.014 HA3 :: 4.304 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.695 Ave N Shift Values>> N :: 109.67(3.87) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.16 K 0.14 F 0.06 C 0.04 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 175.277 CA :: 54.638 CB :: 42.493 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 :: 8.948 HA :: 5.407 HB2 :: 3.116 HB3 :: 2.924 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 :: 118.643 Ave N Shift Values>> N :: 120.65(3.86) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.462 CA :: 56.398 CB :: 66.101 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.782 HA :: 4.329 HB2 :: 3.969 HB3 :: 3.969 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 :: 112.655 Ave N Shift Values>> N :: 116.28(3.52) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.21 C Shift Assignments>> C :: 174.536 CA :: 59.694 CB :: 39.128 CG :: 27.314 CD1 :: 25.928 CD2 :: 24.967 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 :: 9.034 HA :: 3.856 HB2 :: 1.584 HB3 :: 1.118 HG :: 0.484 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.461 HD22 :: 0.461 HD23 :: 0.461 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 :: 121.385 Ave N Shift Values>> N :: 121.86(3.9) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.33 G 0.01 C Shift Assignments>> C :: 178.214 CA :: 66.668 CB :: 30.527 CG :: 28.525 CD :: 49.433 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 :: 4.285 HB2 :: 2.226 HB3 :: 2.083 HG2 :: 1.840 HG3 :: 1.840 HD2 :: 3.837 HD3 :: 3.085 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.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.29 I 0.07 M 0.06 C Shift Assignments>> C :: 178.660 CA :: 59.560 CB :: 31.342 CG :: 37.088 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 :: 6.913 HA :: 4.484 HB2 :: 2.421 HB3 :: 2.279 HG2 :: 2.787 HG3 :: 2.738 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.194 Ave N Shift Values>> N :: 120.67(3.48) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 F 0.22 C 0.17 Y 0.16 K 0.07 R 0.02 L 0.01 G 0.01 C Shift Assignments>> C :: 180.091 CA :: 62.101 CB :: 41.842 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 :: 8.853 HA :: 5.384 HB2 :: 3.975 HB3 :: 3.607 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 :: 120.199 Ave N Shift Values>> N :: 120.45(4.18) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.32 Q 0.13 K 0.08 C Shift Assignments>> C :: 179.760 CA :: 58.142 CB :: 32.225 CG :: 31.259 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 :: 8.947 HA :: 4.010 HB2 :: 1.880 HB3 :: 1.880 HG2 :: 2.269 HG3 :: 2.269 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 :: 115.037 Ave N Shift Values>> N :: 120.09(3.57) 1.E99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 E 0.36 I 0.09 M 0.05 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.899 CA :: 59.359 CB :: 30.613 CG :: 36.631 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 :: 8.320 HA :: 4.943 HB2 :: 2.893(S) HB3 :: 2.732 HG2 :: 3.175(S) HG3 :: 2.918 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 :: 117.124 Ave N Shift Values>> N :: 120.67(3.48) 1.N100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.18 F 0.08 R 0.07 Y 0.05 C 0.04 N 0.03 C Shift Assignments>> C :: 178.119 CA :: 54.871 CB :: 41.944 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 :: 8.975 HA :: 5.036 HB2 :: 4.409(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.878 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.33 L 0.28 R 0.21 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.603 CA :: 44.179 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.551 HA3 :: 3.551 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.41 A 0.08 C Shift Assignments>> CA :: 56.489 CB :: 40.682 CG :: 25.799 CD1 :: 24.588 CD2 :: 21.534 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 :: 5.905(S) HA :: 3.362 HB2 :: 1.174 HB3 :: 0.906 HG :: 0.888 HD11 :: 0.489 HD12 :: 0.489 HD13 :: 0.489 HD21 :: 0.321 HD22 :: 0.321 HD23 :: 0.321 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.858 Ave N Shift Values>> N :: 121.86(3.9) 1.S111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.240 CB :: 63.485 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.376 HA :: 3.798 HB2 :: 2.896(S) HB3 :: 2.730(S) 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 :: 110.802 Ave N Shift Values>> N :: 116.28(3.52) 1.F112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.46 D 0.17 C 0.1 Y 0.09 F 0.09 L 0.05 C Shift Assignments>> CA :: 53.689 CB :: 38.756 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 :: 5.902(S) HA :: 3.801 HB2 :: 2.758 HB3 :: 2.758 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 :: 118.823 Ave N Shift Values>> N :: 120.45(4.18) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 177.444 CA :: 64.651 CB :: 31.763 CG :: 26.843 CD :: 49.962 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 :: 3.714 HB2 :: 1.958 HB3 :: 1.611 HG2 :: 1.685 HG3 :: 1.593 HD2 :: 3.295 HD3 :: 2.940 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.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 C 0.32 R 0.14 K 0.13 E 0.03 M 0.01 C Shift Assignments>> C :: 175.285 CA :: 54.202 CB :: 27.171 CG :: 34.053 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.800 HA :: 4.150 HB2 :: 2.182 HB3 :: 1.662 HG2 :: 2.044 HG3 :: 2.044 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 :: 114.141 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L115 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.26 L 0.17 F 0.16 Y 0.14 N 0.1 C 0.08 K 0.04 I 0.01 C Shift Assignments>> C :: 174.882 CA :: 55.428 CB :: 40.385 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 :: 6.658 HA :: 4.375 HB2 :: 3.389(A) HB3 :: 3.110(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.110 Ave N Shift Values>> N :: 121.86(3.9) 1.R116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F120 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> G 0.41 L 0.24 R 0.15 C 0.07 F 0.04 Y 0.02 D 0.02 C Shift Assignments>> C :: 175.525 CA :: 56.968 CB :: 44.673 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>> HA :: 6.087 HB2 :: 4.862(A) 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) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.28 E 0.16 Q 0.01 C Shift Assignments>> C :: 175.303 CA :: 55.434 CB :: 33.273 CG :: 36.159 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 :: 8.810 HA :: 5.127 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.454 HG3 :: 2.454 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.601 Ave N Shift Values>> N :: 120.67(3.48) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.13 H 0.12 Q 0.12 R 0.12 K 0.11 M 0.04 I 0.02 C Shift Assignments>> C :: 174.048 CA :: 57.665 CB :: 29.725 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.621 HA :: 5.539 HB2 :: 3.031 HB3 :: 3.031 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 :: 126.750 Ave N Shift Values>> N :: 120.17(4.64) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 Q 0.26 C 0.25 K 0.1 E 0.01 C Shift Assignments>> C :: 175.625 CA :: 54.228 CB :: 30.846 CG :: 33.026 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.210 HA :: 4.857 HB2 :: 2.205 HB3 :: 2.098 HG2 :: 2.337 HG3 :: 2.337 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 :: 125.485 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.14 E 0.14 R 0.14 H 0.14 C 0.14 Q 0.11 M 0.06 K 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 176.245 CA :: 57.394 CB :: 30.444 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>> HA :: 4.922 HB2 :: 3.254 HB3 :: 3.254 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) 1.T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.752 CA :: 62.210 CB :: 69.536 CG2 :: 22.511 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 :: 8.451 HA :: 4.466 HB :: 4.360 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 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 :: 115.999 Ave N Shift Values>> N :: 115.42(4.75) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.909 CA :: 58.521 CB :: 64.836 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.560 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.731 Ave N Shift Values>> N :: 116.28(3.52) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.956 CA :: 60.723 CB :: 62.975 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.428 HB2 :: 4.026 HB3 :: 4.026 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) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.32 R 0.14 G 0.01 C Shift Assignments>> C :: 174.527 CA :: 54.999 CB :: 33.162 CG :: 24.436 CD :: 28.759 CE :: 42.200 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 :: 8.005 HA :: 4.043 HB2 :: 1.972 HB3 :: 1.409 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.132 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 C Shift Assignments>> C :: 173.587 CA :: 57.489 CB :: 66.693 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.413 HA :: 5.550 HB2 :: 3.876 HB3 :: 3.701 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.659 Ave N Shift Values>> N :: 116.28(3.52) 1.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 A 0.32 M 0.19 I 0.01 C Shift Assignments>> C :: 174.030 CA :: 54.925 CB :: 38.091 CG :: 31.892 CE :: 17.211 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 :: 9.315 HA :: 5.375 HB2 :: 2.369 HB3 :: 1.895 HG2 :: 2.540 HG3 :: 2.540 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.316 Ave N Shift Values>> N :: 120.09(3.57) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.23 E 0.19 C Shift Assignments>> C :: 174.537 CA :: 55.011 CB :: 32.712 CG :: 37.156 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 :: 9.355 HA :: 5.218 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 1.968 HG3 :: 1.968 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 :: 122.028 Ave N Shift Values>> N :: 120.67(3.48) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.34 L 0.21 A 0.02 C Shift Assignments>> C :: 174.637 CA :: 53.298 CB :: 46.922 CG :: 26.578 CD1 :: 24.349 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 :: 9.550 HA :: 5.384 HB2 :: 2.012 HB3 :: 1.238 HG :: 0.646 HD11 :: 1.326 HD12 :: 1.326 HD13 :: 1.326 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 :: 126.538 Ave N Shift Values>> N :: 121.86(3.9) 1.H133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 R 0.14 C 0.14 K 0.14 H 0.13 W 0.09 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 174.074 CA :: 55.847 CB :: 31.797 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.929 HA :: 4.851 HB2 :: 3.379 HB3 :: 2.869 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 :: 128.928 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.14 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.03 C Shift Assignments>> C :: 172.914 CA :: 54.297 CB :: 41.497 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 :: 8.541 HA :: 4.979 HB2 :: 2.643 HB3 :: 2.569 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 :: 126.574 Ave N Shift Values>> N :: 120.52(4.2) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.25 Q 0.24 K 0.05 E 0.02 C Shift Assignments>> C :: 172.739 CA :: 54.079 CB :: 31.252 CG :: 33.286 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 :: 8.617 HA :: 4.071 HB2 :: 1.578 HB3 :: 1.391 HG2 :: 2.400 HG3 :: 2.400 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 :: 128.869 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.744 CA :: 56.036 CB :: 64.329 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.961 HA :: 4.048 HB2 :: 3.151 HB3 :: 3.151 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 :: 116.245 Ave N Shift Values>> N :: 116.28(3.52) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.735 CA :: 62.785 CB :: 69.398 CG2 :: 21.339 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 :: 8.365 HA :: 4.169 HB :: 4.252 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 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 :: 116.917 Ave N Shift Values>> N :: 115.42(4.75) 1.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.07 E 0.06 V 0.01 C Shift Assignments>> C :: 175.980 CA :: 55.843 CB :: 32.380 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 :: 9.410 HA :: 4.732 HB2 :: 2.405 HB3 :: 2.405 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 :: 124.976 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.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.04 C 0.03 M 0.01 HN Overlap>> 1.E161 1.E161 C Shift Assignments>> C :: 180.131 CA :: 51.200 CB :: 20.813 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.711 HA :: 4.602 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.195 Ave N Shift Values>> N :: 123.23(3.54) 1.G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.661 CA :: 47.335 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.662 HA2 :: 3.986 HA3 :: 3.956 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.633 Ave N Shift Values>> N :: 109.67(3.87) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.32 A 0.23 R 0.01 C Shift Assignments>> C :: 177.603 CA :: 53.830 CB :: 40.554 CG :: 27.963 CD1 :: 26.368 CD2 :: 22.108 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 :: 8.045 HA :: 4.574 HB2 :: 1.993 HB3 :: 1.993 HG :: 1.826 HD11 :: 1.226 HD12 :: 1.226 HD13 :: 1.226 HD21 :: 1.208 HD22 :: 1.208 HD23 :: 1.208 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 :: 114.788 Ave N Shift Values>> N :: 121.86(3.9) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 I 0.12 A 0.03 C 0.02 C Shift Assignments>> C :: 175.941 CA :: 57.040 CB :: 15.791 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.589 HA :: 3.527 HB1 :: 1.424 HB2 :: 1.424 HB3 :: 1.424 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.254 Ave N Shift Values>> N :: 123.23(3.54) 1.P143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.14 C 0.14 H 0.13 W 0.13 E 0.12 K 0.1 M 0.1 Q 0.08 V 0.02 C Shift Assignments>> C :: 176.667 CA :: 57.252 CB :: 31.185 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 3.748 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.V145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.82 C 0.16 V 0.01 C Shift Assignments>> CA :: 64.556 CB :: 28.439 CG2 :: 17.863 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 :: 5.987(S) HA :: 3.752 HB :: 1.374 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.242 Ave N Shift Values>> N :: 121.14(4.54) 1.L146 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 L 0.44 A 0.01 C Shift Assignments>> CA :: 58.123 CB :: 41.057 CG :: 26.327 CD1 :: 24.405 CD2 :: 21.443 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 :: 6.244 HA :: 2.705(S) HB2 :: 1.088 HB3 :: 1.173 HG :: 0.970 HD11 :: 0.549 HD12 :: 0.549 HD13 :: 0.549 HD21 :: 0.377 HD22 :: 0.377 HD23 :: 0.377 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 121.86(3.9) 1.G147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> CA :: 47.042 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.277 HA2 :: 3.439 HA3 :: 2.648(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.243 Ave N Shift Values>> N :: 109.67(3.87) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.18 K 0.16 D 0.15 F 0.08 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> CA :: 55.421 CB :: 42.520 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 :: 6.326 HA :: 4.386 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.798 Ave N Shift Values>> N :: 121.86(3.9) 1.L149 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 L 0.17 A 0.07 C Shift Assignments>> C :: 178.757 CA :: 57.157 CB :: 40.253 CG :: 25.047 CD1 :: 21.712 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 :: 6.647 HA :: 3.166 HB2 :: 0.553 HB3 :: 0.553 HG :: -0.003(S) HD11 :: 0.235 HD12 :: 0.235 HD13 :: 0.235 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 :: 116.861 Ave N Shift Values>> N :: 121.86(3.9) 1.H150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.14 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 179.459 CA :: 58.511 CB :: 28.852 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.831 HA :: 3.818 HB2 :: 2.729 HB3 :: 2.520 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.256 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 HN Overlap>> 1.G153 1.G153 C Shift Assignments>> C :: 176.063 CA :: 46.663 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.063 HA2 :: 3.115 HA3 :: 2.601(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.398 Ave N Shift Values>> N :: 109.67(3.87) 1.L152 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.45 R 0.06 HN Overlap>> 1.A54 1.A54 C Shift Assignments>> C :: 178.709 CA :: 57.101 CB :: 41.517 CG :: 32.519(S) CD1 :: 29.094 CD2 :: 24.053 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 :: 8.351 HA :: 3.598 HB2 :: 1.623 HB3 :: 1.158 HG :: 1.749 HD11 :: 1.628 HD12 :: 1.628 HD13 :: 1.628 HD21 :: 1.269 HD22 :: 1.269 HD23 :: 1.269 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 :: 124.848 Ave N Shift Values>> N :: 121.86(3.9) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 G 0.3 A 0.13 C 0.08 N 0.04 L 0.01 D 0.01 HN Overlap>> 1.G151 1.G151 C Shift Assignments>> C :: 175.603 CA :: 48.258 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.029 HA2 :: 3.523 HA3 :: 3.523 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.479 Ave N Shift Values>> N :: 109.67(3.87) 1.K154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 179.971 CA :: 59.299 CB :: 31.687 CG :: 25.209 CD :: 28.815 CE :: 41.711 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 :: 7.029 HA :: 3.842 HB2 :: 1.529 HB3 :: 1.463 HG2 :: 1.051 HG3 :: 1.051 HD2 :: 1.282 HD3 :: 1.209 HE2 :: 2.583 HE3 :: 2.496 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.659 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.35 K 0.13 L 0.05 G 0.03 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 177.138 CA :: 59.078 CB :: 28.785 CG :: 26.891 CD :: 42.818 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 :: 7.541 HA :: 3.583 HB2 :: 1.283 HB3 :: 1.137 HG2 :: 0.162(S) HD2 :: 2.615 HD3 :: 2.615 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.494 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.F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.16 E 0.02 D 0.02 L 0.02 C Shift Assignments>> C :: 174.495 CA :: 58.502 CB :: 38.722 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 :: 7.565 HA :: 4.624 HB2 :: 3.816 HB3 :: 3.726 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 :: 113.436 Ave N Shift Values>> N :: 120.45(4.18) 1.Q157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.23 K 0.19 R 0.11 E 0.04 I 0.01 C Shift Assignments>> C :: 174.597 CA :: 56.815 CB :: 26.538 CG :: 34.267 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.855 HA :: 3.810 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.217 HG3 :: 2.217 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.984 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T158 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 :: 173.032 CA :: 60.910 CB :: 72.098 CG2 :: 20.961 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 :: 8.653 HA :: 4.622 HB :: 3.716 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 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 :: 115.034 Ave N Shift Values>> N :: 115.42(4.75) 1.K159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.12 C Shift Assignments>> C :: 175.964 CA :: 56.896 CB :: 32.391 CG :: 24.640 CD :: 29.023 CE :: 41.890 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 :: 8.555 HA :: 4.097 HB2 :: 1.683 HB3 :: 1.683 HG2 :: 1.359 HG3 :: 1.201 HD2 :: 1.533 HD3 :: 1.533 HE2 :: 2.822 HE3 :: 2.822 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 :: 128.992 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 HN Overlap>> 1.Y49 1.Y49 1.D175 1.D175 C Shift Assignments>> C :: 174.748 CA :: 59.352 CB :: 35.342 CG1 :: 21.948 CG2 :: 19.712 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 :: 8.022 HA :: 4.967 HB :: 1.590 HG11 :: 0.549 HG12 :: 0.549 HG13 :: 0.549 HG21 :: 0.566 HG22 :: 0.566 HG23 :: 0.566 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 :: 119.144 Ave N Shift Values>> N :: 121.14(4.54) 1.E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.31 E 0.27 Q 0.05 HN Overlap>> 1.A139 1.A139 C Shift Assignments>> C :: 175.454 CA :: 55.165 CB :: 31.852 CG :: 35.883 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 :: 8.768 HA :: 4.488 HB2 :: 1.863 HB3 :: 1.762 HG2 :: 2.055 HG3 :: 2.001 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 :: 125.268 Ave N Shift Values>> N :: 120.67(3.48) 1.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.602 CA :: 60.374 CB :: 33.930 CG1 :: 21.838 CG2 :: 21.003 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 :: 8.823 HA :: 4.906 HB :: 1.626 HG11 :: 0.569 HG12 :: 0.569 HG13 :: 0.569 HG21 :: 0.454 HG22 :: 0.454 HG23 :: 0.454 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 :: 126.447 Ave N Shift Values>> N :: 121.14(4.54) 1.T163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 172.779 CA :: 60.623 CB :: 71.651 CG2 :: 21.137 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 :: 8.726 HA :: 4.348 HB :: 3.763 HG21 :: 0.995 HG22 :: 0.995 HG23 :: 0.995 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.299 Ave N Shift Values>> N :: 115.42(4.75) 1.Q164 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.12 Q 0.08 M 0.02 C Shift Assignments>> C :: 174.436 CA :: 56.215 CB :: 27.024 CG :: 31.757 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.235 HA :: 4.068 HB2 :: 1.539 HB3 :: 1.539 HG2 :: 0.887(S) HG3 :: 0.427(S) 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 :: 129.651 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> C :: 174.466 CA :: 61.525 CB :: 68.663 CG2 :: 21.900 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 :: 8.224 HA :: 4.179 HB :: 4.082 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 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 :: 117.030 Ave N Shift Values>> N :: 115.42(4.75) 1.A166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 L 0.31 C 0.1 C Shift Assignments>> C :: 176.191 CA :: 51.901 CB :: 22.091 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.081 HA :: 4.686 HB1 :: 1.043 HB2 :: 1.043 HB3 :: 1.043 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.614 Ave N Shift Values>> N :: 123.23(3.54) 1.F167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.18 F 0.16 Y 0.14 N 0.08 C 0.08 K 0.06 I 0.01 C Shift Assignments>> C :: 175.920 CA :: 55.566 CB :: 40.588 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 :: 8.782 HA :: 4.719 HB2 :: 2.962 HB3 :: 2.804 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 120.45(4.18) 1.R168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.43 G 0.08 K 0.03 C Shift Assignments>> C :: 179.954 CA :: 58.097 CB :: 30.677 CG :: 26.765 CD :: 43.575 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 :: 8.913 HA :: 4.084 HB2 :: 1.751 HB3 :: 1.452 HG2 :: 1.539 HG3 :: 1.539 HD2 :: 3.103 HD3 :: 3.103 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 :: 128.915 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.E169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.16 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.638 CA :: 59.193 CB :: 29.620 CG :: 36.614 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 :: 9.705 HA :: 4.071 HB2 :: 1.945 HB3 :: 2.020 HG2 :: 2.282 HG3 :: 2.259 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 :: 118.681 Ave N Shift Values>> N :: 120.67(3.48) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 175.104 CA :: 61.263 CB :: 68.551 CG2 :: 21.290 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 :: 7.316 HA :: 4.433 HB :: 4.098 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 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 :: 107.501 Ave N Shift Values>> N :: 115.42(4.75) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.055 CA :: 45.014 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.880 HA2 :: 4.352 HA3 :: 3.590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.311 Ave N Shift Values>> N :: 109.67(3.87) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.36 I 0.11 K 0.04 M 0.01 C Shift Assignments>> C :: 175.943 CA :: 56.375 CB :: 29.134 CG :: 37.550 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 :: 7.150 HA :: 4.167 HB2 :: 1.958 HB3 :: 1.372 HG2 :: 2.189 HG3 :: 2.058 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.261 Ave N Shift Values>> N :: 120.67(3.48) 1.D173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.19 K 0.14 F 0.12 Y 0.08 C 0.07 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 175.945 CA :: 57.735 CB :: 42.912 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 :: 8.509 HA :: 4.026 HB2 :: 2.617 HB3 :: 2.462 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 :: 120.121 Ave N Shift Values>> N :: 120.65(3.86) 1.H174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.15 K 0.14 W 0.11 C 0.11 R 0.11 E 0.1 M 0.04 L 0.02 C Shift Assignments>> C :: 171.660 CA :: 54.911 CB :: 29.065 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 :: 7.366 HA :: 4.353 HB2 :: 3.314 HB3 :: 3.131 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 :: 106.545 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.28 D 0.11 G 0.09 C 0.04 F 0.04 K 0.03 Y 0.02 HN Overlap>> 1.V160 1.V160 C Shift Assignments>> C :: 174.911 CA :: 54.709 CB :: 43.625 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 :: 8.107 HA :: 4.324 HB2 :: 2.569 HB3 :: 2.087 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 :: 119.177 Ave N Shift Values>> N :: 120.65(3.86) 1.I176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 173.892 CA :: 60.320 CB :: 40.021 CG1 :: 27.526 CG2 :: 16.582 CD1 :: 13.415 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 :: 6.995 HA :: 4.684 HB :: 1.033 HG12 :: 0.141 HG13 :: 0.141 HG21 :: 0.168 HG22 :: 0.168 HG23 :: 0.168 HD11 :: 0.494 HD12 :: 0.494 HD13 :: 0.494 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.510 Ave N Shift Values>> N :: 121.46(4.28) 1.F177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.2 D 0.19 F 0.12 Y 0.09 C 0.05 R 0.05 N 0.02 C Shift Assignments>> C :: 174.090 CA :: 55.764 CB :: 41.649 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 :: 9.011 HA :: 4.793 HB2 :: 2.370 HB3 :: 2.370 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 :: 123.703 Ave N Shift Values>> N :: 120.45(4.18) 1.S178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.040 CA :: 57.430 CB :: 63.623 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.309 HA :: 4.959 HB2 :: 3.736 HB3 :: 3.736 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 :: 119.473 Ave N Shift Values>> N :: 116.28(3.52) 1.I179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.28 C Shift Assignments>> C :: 174.742 CA :: 60.588 CB :: 41.355 CG1 :: 28.727 CG2 :: 18.453 CD1 :: 16.656 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 :: 9.094 HA :: 4.785 HB :: 1.732 HG12 :: 0.774 HG13 :: 0.774 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 127.218 Ave N Shift Values>> N :: 121.46(4.28) 1.K180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.37 R 0.05 C Shift Assignments>> C :: 175.514 CA :: 54.933 CB :: 34.628 CG :: 24.738 CD :: 29.137 CE :: 41.787 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 :: 8.783 HA :: 5.035 HB2 :: 1.799 HB3 :: 1.615 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 1.597 HD3 :: 1.597 HE2 :: 2.844 HE3 :: 2.844 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 :: 128.448 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 Y 0.12 N 0.11 C 0.07 K 0.05 HN Overlap>> 1.Y43 1.Y43 C Shift Assignments>> C :: 173.834 CA :: 55.058 CB :: 40.537 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 :: 8.260 HA :: 5.522 HB2 :: 2.867 HB3 :: 2.569 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.939 Ave N Shift Values>> N :: 120.52(4.2) 1.E182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.29 E 0.27 Q 0.03 C Shift Assignments>> C :: 174.677 CA :: 55.977 CB :: 32.257 CG :: 36.004 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 :: 7.979 HA :: 4.401 HB2 :: 2.057 HB3 :: 1.861 HG2 :: 2.173 HG3 :: 2.173 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 :: 118.871 Ave N Shift Values>> N :: 120.67(3.48) 1.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.2 D 0.16 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 180.962 CA :: 55.701 CB :: 42.224 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 :: 8.228 HA :: 4.488 HB2 :: 2.681 HB3 :: 2.681 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 :: 128.064 Ave N Shift Values>> N :: 120.65(3.86) 2.HEM1 Overall Status: Residue type HEM not supported. ########################################################################### Overall Results: #Consistent: 157 #Clerical: 0 #Suspicious: 21 #Anomalous: 3 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 159 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 22 Shift Relative Order (SRO) Results: #Consistent: 183 #Suspicious: 0 C Shift Results: #Consistent: 602 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 874 #Duplicate: 0 #Unknown: 0 #Suspicious: 38 #Anomalous: 5 N Shift Results: #Consistent: 149 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N6 Typing: Mistyped 1.I9 HG12 = -0.141(S), Expected = 1.28, Std = 0.4000, ChiSquare = 3.8159e-04 1.Q10 HA = 2.538(S), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2726e-05 1.Q10 HG2 = 0.153(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.0076e-15 1.M12 HA = 2.783(S), Expected = 4.41, Std = 0.4800, ChiSquare = 6.9999e-04 1.K26 HB3 = 0.687(S), Expected = 1.74, Std = 0.2700, ChiSquare = 9.6193e-05 1.T48 HG21 = 1.952(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.1488e-04 1.T48 HG22 = 1.952(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.1488e-04 1.T48 HG23 = 1.952(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.1488e-04 1.E72 H = 6.096(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5282e-04 1.E72 HA = 2.163(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.5760e-07 1.E72 HB2 = 1.253(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.5982e-04 1.E72 HB3 = 1.117(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.4726e-04 1.E72 HG2 = 1.402(S), Expected = 2.27, Std = 0.2100, ChiSquare = 3.5754e-05 1.E72 HG3 = 1.280(S), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0381e-05 1.S79 H = 5.796(S), Expected = 8.28, Std = 0.5900, ChiSquare = 2.5518e-05 1.E81 HB3 = 0.861(S), Expected = 1.99, Std = 0.2300, ChiSquare = 9.1684e-07 1.E81 HG2 = 1.281(S), Expected = 2.27, Std = 0.2100, ChiSquare = 2.4830e-06 1.E81 HG3 = 1.143(S), Expected = 2.25, Std = 0.2200, ChiSquare = 4.8585e-07 1.L87 HG = 2.752(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.6746e-04 1.L87 HD11 = 2.616(A), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6596e-11 1.L87 HD12 = 2.616(A), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6596e-11 1.L87 HD13 = 2.616(A), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6596e-11 1.A90 HB1 = 3.045(S), Expected = 1.35, Std = 0.2600, ChiSquare = 7.0669e-11 1.A90 HB2 = 3.045(S), Expected = 1.35, Std = 0.2600, ChiSquare = 7.0669e-11 1.A90 HB3 = 3.045(S), Expected = 1.35, Std = 0.2600, ChiSquare = 7.0669e-11 1.E99 HB2 = 2.893(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.2225e-05 1.E99 HG2 = 3.175(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.6361e-05 1.N100 HB2 = 4.409(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.4952e-07 1.L110 H = 5.905(S), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4766e-04 1.S111 HB2 = 2.896(S), Expected = 3.88, Std = 0.2500, ChiSquare = 8.2851e-05 1.S111 HB3 = 2.730(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.3518e-05 1.F112 H = 5.902(S), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4043e-04 1.L115 HB2 = 3.389(A), Expected = 1.61, Std = 0.3400, ChiSquare = 1.6737e-07 1.L115 HB3 = 3.110(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.0023e-05 1.F120 HB2 = 4.862(A), Expected = 3.00, Std = 0.3700, ChiSquare = 4.8430e-07 1.V145 H = 5.987(S), Expected = 8.29, Std = 0.6700, ChiSquare = 5.8752e-04 1.L146 HA = 2.705(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9000e-04 1.G147 HA3 = 2.648(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.1494e-04 1.L149 HG = -0.003(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.5432e-06 1.G151 HA3 = 2.601(S), Expected = 3.90, Std = 0.3700, ChiSquare = 4.4674e-04 1.L152 Typing: Mistyped 1.L152 CG = 32.519(S), Expected = 26.78, Std = 1.1000, ChiSquare = 1.8158e-07 1.R155 HG2 = 0.162(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.8400e-07 1.Q164 HG2 = 0.887(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.1120e-07 1.Q164 HG3 = 0.427(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.3262e-10