Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 C 0.42 R 0.09 C Shift Assignments>> C :: 176.3830 CA :: 56.6517 CB :: 32.7342 CG :: 24.6017 CD :: 29.0124 CE :: 41.8027 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>> HA :: 4.1457 HB2 :: 1.5532 HG2 :: 1.1873 HD2 :: 1.5592 HE2 :: 2.8642 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) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 F 0.31 Y 0.28 C Shift Assignments>> C :: 175.4770 CA :: 57.9393 CB :: 39.3794 CD1 :: 129.9093 CD2 :: 129.9093 CE1 :: 131.7844 CE2 :: 131.7844 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 :: 8.0504 HA :: 4.4267 HB2 :: 2.8956 HD1 :: 7.0924 HD2 :: 7.0924 HE1 :: 7.0321 HE2 :: 7.0321 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 :: 120.2787 Ave N Shift Values>> N :: 120.45(4.18) 1.Y5 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 0.11 D 0.04 L 0.03 E 0.02 N 0.02 C Shift Assignments>> C :: 175.6093 CA :: 57.8019 CB :: 38.7597 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 :: 7.8706 HA :: 4.4183 HB2 :: 2.8566 HD1 :: 7.1115 HD2 :: 7.1115 HE1 :: 6.6629 HE2 :: 6.6629 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.8039 Ave N Shift Values>> N :: 120.52(4.2) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.11 K 0.05 Q 0.04 I 0.02 HN Overlap>> 1.L54 1.L54 C Shift Assignments>> C :: 176.3271 CA :: 56.6387 CB :: 30.4255 CG :: 36.3411 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 :: 8.1573 HA :: 4.1627 HB2 :: 1.9567 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 :: 122.4693 Ave N Shift Values>> N :: 120.67(3.48) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8185 CA :: 58.3139 CB :: 64.0782 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1901 HA :: 4.3495 HB2 :: 3.8096 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 :: 116.5141 Ave N Shift Values>> N :: 116.28(3.52) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 HN Overlap>> 1.Y53 1.Y53 C Shift Assignments>> C :: 178.1882 CA :: 53.5156 CB :: 19.0535 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4127 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1584 Ave N Shift Values>> N :: 123.23(3.54) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.5730 CA :: 58.8044 CB :: 63.7642 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.3134 HB2 :: 3.8140 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.6827 CA :: 52.6749 CB :: 19.2669 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0542 HA :: 4.2646 HB1 :: 1.3529 HB2 :: 1.3529 HB3 :: 1.3529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3361 Ave N Shift Values>> N :: 123.23(3.54) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 G 0.06 K 0.04 C Shift Assignments>> C :: 176.2214 CA :: 56.0386 CB :: 30.4255 CG :: 27.0825 CD :: 43.3460 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 :: 8.0965 HA :: 4.2332 HB2 :: 1.7160 HB3 :: 1.7468 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 :: 119.6219 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.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 R 0.08 HN Overlap>> 1.W96 1.W96 1.R48 1.R48 C Shift Assignments>> C :: 176.2920 CA :: 56.2283 CB :: 33.0871 CG :: 24.8527 CD :: 29.0851 CE :: 41.8256 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 :: 8.2466 HA :: 4.2814 HB2 :: 1.7340 HG2 :: 1.4132 HG3 :: 1.3657 HD2 :: 1.6405 HE2 :: 2.9468 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 :: 122.9568 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.39 G 0.14 K 0.01 C Shift Assignments>> C :: 176.1941 CA :: 56.0524 CB :: 31.4804 CG :: 26.9906 CD :: 43.9561 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 :: 8.4656 HA :: 4.3683 HB2 :: 1.7409 HG2 :: 1.5840 HD2 :: 3.1308 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.9874 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.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.9265 CA :: 61.9068 CB :: 69.5645 CG2 :: 21.7099 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 :: 8.4929 HA :: 4.3165 HB :: 4.0438 HG21 :: 1.1330 HG22 :: 1.1330 HG23 :: 1.1330 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 :: 119.0424 Ave N Shift Values>> N :: 115.42(4.75) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 176.6350 CA :: 61.4761 CB :: 33.3366 CG1 :: 20.7457 CG2 :: 22.1150 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 :: 8.3159 HA :: 4.3998 HB :: 1.9747 HG11 :: 0.9006 HG12 :: 0.9006 HG13 :: 0.9006 HG21 :: 0.9512 HG22 :: 0.9512 HG23 :: 0.9512 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 :: 124.5480 Ave N Shift Values>> N :: 121.14(4.54) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 175.3450 CA :: 61.0098 CB :: 71.3565 CG2 :: 21.9719 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 :: 8.8199 HA :: 4.4683 HB :: 4.6707 HG21 :: 1.2629 HG22 :: 1.2629 HG23 :: 1.2629 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 :: 118.6483 Ave N Shift Values>> N :: 115.42(4.75) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.06 C 0.03 C Shift Assignments>> C :: 180.2884 CA :: 55.7043 CB :: 18.1781 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8747 HA :: 3.9997 HB1 :: 1.4421 HB2 :: 1.4421 HB3 :: 1.4421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6632 Ave N Shift Values>> N :: 123.23(3.54) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.3 E 0.26 K 0.03 C Shift Assignments>> C :: 179.2670 CA :: 60.0111 CB :: 29.0809 CG :: 36.8168 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 :: 8.7280 HA :: 4.0060 HB2 :: 1.9122 HB3 :: 2.0660 HG2 :: 2.2893 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 :: 117.8505 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.27 I 0.27 K 0.02 C Shift Assignments>> C :: 179.0700 CA :: 59.4989 CB :: 29.4075 CG :: 37.2077 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 :: 7.8948 HA :: 3.9523 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 :: 120.9687 Ave N Shift Values>> N :: 120.67(3.48) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.22 G 0.11 K 0.07 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 179.4193 CA :: 60.0241 CB :: 30.1420 CG :: 29.1327 CD :: 43.4563 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 :: 8.0665 HA :: 3.9518 HB2 :: 1.9221 HB3 :: 1.9104 HG2 :: 1.4875 HD2 :: 3.0556 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 :: 118.6645 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.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.11 K 0.08 Q 0.04 M 0.02 HN Overlap>> 1.R20 1.R20 C Shift Assignments>> C :: 178.1375 CA :: 58.7011 CB :: 29.5335 CG :: 36.2213 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 :: 8.0369 HA :: 3.9605 HB2 :: 2.0340 HG2 :: 2.3006 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 :: 118.6190 Ave N Shift Values>> N :: 120.67(3.48) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.35 G 0.14 K 0.01 HN Overlap>> 1.Y133 1.Y133 C Shift Assignments>> C :: 179.4229 CA :: 59.9809 CB :: 30.0887 CG :: 27.6880 CD :: 43.7932 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 :: 7.9543 HA :: 3.9515 HB2 :: 2.0015 HB3 :: 1.8431 HG2 :: 1.6480 HD2 :: 3.2437 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 :: 119.4101 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.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 I 0.04 C 0.03 C Shift Assignments>> C :: 178.7581 CA :: 55.4562 CB :: 18.3583 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4934 HA :: 3.8248 HB1 :: 1.3943 HB2 :: 1.3943 HB3 :: 1.3943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9152 Ave N Shift Values>> N :: 123.23(3.54) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 178.0281 CA :: 65.2335 CB :: 38.1092 CG1 :: 30.3236 CG2 :: 17.5727 CD1 :: 14.0413 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 :: 7.4305 HA :: 3.5551 HB :: 1.8296 HG12 :: 1.7016 HG13 :: 0.9898 HG21 :: 1.0019 HG22 :: 1.0019 HG23 :: 1.0019 HD11 :: 0.8641 HD12 :: 0.8641 HD13 :: 0.8641 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 :: 117.5500 Ave N Shift Values>> N :: 121.46(4.28) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 F 0.14 N 0.14 E 0.13 M 0.04 D 0.04 I 0.03 L 0.01 HN Overlap>> 1.Y97 1.Y97 C Shift Assignments>> C :: 178.2594 CA :: 55.9341 CB :: 37.6354 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 :: 8.5289 HA :: 4.2753 HB2 :: 2.7042 HB3 :: 2.6305 HD21 :: 7.0206 HD22 :: 7.5832 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.5201 ND2 :: 112.3651 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 179.7399 CA :: 54.8717 CB :: 18.2108 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9568 HA :: 3.9639 HB1 :: 1.3582 HB2 :: 1.3582 HB3 :: 1.3582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6507 Ave N Shift Values>> N :: 123.23(3.54) 1.A27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.79 M 0.15 C 0.03 L 0.01 C Shift Assignments>> C :: 180.2542 CA :: 53.7011 CB :: 19.4694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7102 HA :: 2.3059(S) HB1 :: 0.9685 HB2 :: 0.9685 HB3 :: 0.9685 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3735 Ave N Shift Values>> N :: 123.23(3.54) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.37 R 0.16 C Shift Assignments>> C :: 177.2533 CA :: 58.7093 CB :: 32.5099 CG :: 26.1047 CD :: 29.6387 CE :: 41.7996 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 :: 7.8957 HA :: 3.8064 HB2 :: 1.8452 HG2 :: 1.6092 HG3 :: 1.2953 HD2 :: 1.6145 HE2 :: 2.8492 HE3 :: 2.8653 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 :: 116.2024 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.5797 CA :: 62.8850 CB :: 69.5016 CG2 :: 21.5880 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 :: 7.3629 HA :: 4.1467 HB :: 4.3289 HG21 :: 1.2547 HG22 :: 1.2547 HG23 :: 1.2547 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.8468 Ave N Shift Values>> N :: 115.42(4.75) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.25 C 0.21 C Shift Assignments>> C :: 173.0142 CA :: 56.5538 CB :: 40.2119 CD1 :: 133.2650 CD2 :: 133.2650 CE1 :: 131.1991 CE2 :: 131.1991 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 :: 7.2018 HA :: 4.6401 HB2 :: 3.0450 HD1 :: 7.2510 HD2 :: 7.2510 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 :: 124.4964 Ave N Shift Values>> N :: 120.45(4.18) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 R 0.17 M 0.16 W 0.12 Q 0.1 P 0.09 K 0.06 E 0.05 C Shift Assignments>> C :: 172.0688 CA :: 52.3145 CB :: 30.7928 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 :: 8.2205 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 :: 128.4073 Ave N Shift Values>> N :: 120.67(3.48) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.32 R 0.07 K 0.01 C Shift Assignments>> C :: 175.2710 CA :: 62.1582 CB :: 31.7107 CG :: 26.9707 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 :: 3.9670 HB2 :: 2.0096 HB3 :: 1.7652 HG2 :: 0.9479 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.T33 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 :: 174.8865 CA :: 62.4312 CB :: 68.6680 CG2 :: 21.8784 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 :: 8.5436 HA :: 4.2401 HB :: 4.3119 HG21 :: 1.1668 HG22 :: 1.1668 HG23 :: 1.1668 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 :: 111.3353 Ave N Shift Values>> N :: 115.42(4.75) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.28 L 0.08 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 171.8107 CA :: 51.6964 CB :: 39.9087 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.9639 HB3 :: 2.1447 HD21 :: 7.0010 HD22 :: 8.5755 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 :: 120.1317 ND2 :: 117.2047 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.26 K 0.01 R 0.01 C Shift Assignments>> C :: 175.7100 CA :: 63.9144 CB :: 31.8515 CG :: 28.5194 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 :: 4.4413 HB2 :: 1.3369 HB3 :: 1.9683 HG2 :: 1.7920 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.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.33 C 0.16 G 0.07 C Shift Assignments>> C :: 173.5072 CA :: 56.0350 CB :: 43.0211 CD1 :: 132.6541 CD2 :: 132.6541 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 :: 8.3203 HA :: 6.0497 HB2 :: 2.8623 HD1 :: 7.2350 HD2 :: 7.2350 HE1 :: 7.3328 HE2 :: 7.3328 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 :: 118.1538 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>> D 0.2 L 0.2 F 0.16 K 0.14 Y 0.13 C 0.07 N 0.04 I 0.01 R 0.01 C Shift Assignments>> C :: 172.3866 CA :: 56.0338 CB :: 41.0433 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 :: 8.6282 HA :: 4.7225 HB2 :: 2.6494 HB3 :: 2.9662 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 :: 113.9665 Ave N Shift Values>> N :: 120.45(4.18) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.26 K 0.25 G 0.09 C Shift Assignments>> C :: 175.6643 CA :: 54.5531 CB :: 33.2167 CG :: 28.6894 CD :: 43.3379 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 :: 9.1316 HA :: 5.6490 HB2 :: 1.5926 HB3 :: 1.8777 HG2 :: 1.8577 HG3 :: 1.5737 HD2 :: 2.8890 HD3 :: 3.2034 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 :: 119.8840 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.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.16 I 0.02 C Shift Assignments>> C :: 173.9041 CA :: 61.3939 CB :: 37.1376 CG2 :: 21.8208 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 :: 9.2102 HA :: 4.6036 HB :: 2.1337 HG11 :: 1.1048 HG12 :: 1.1048 HG13 :: 1.1048 HG21 :: 1.1431 HG22 :: 1.1431 HG23 :: 1.1431 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.8116 Ave N Shift Values>> N :: 121.14(4.54) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 176.7501 CA :: 61.8947 CB :: 31.9931 CG1 :: 21.1854 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 :: 8.8240 HA :: 4.4183 HB :: 2.0801 HG11 :: 1.0179 HG12 :: 1.0179 HG13 :: 1.0179 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 :: 128.0356 Ave N Shift Values>> N :: 121.14(4.54) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.41 K 0.12 C Shift Assignments>> C :: 176.5780 CA :: 57.1947 CB :: 40.7367 CG :: 27.3135 CD1 :: 23.4482 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 :: 9.4277 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 :: 126.2908 Ave N Shift Values>> N :: 121.86(3.9) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 M 0.19 R 0.19 W 0.12 Q 0.11 K 0.08 E 0.07 C Shift Assignments>> C :: 173.7146 CA :: 53.1379 CB :: 30.9656 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 :: 6.5082 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 :: 121.8333 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.P43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.8140 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 177.3857 CA :: 53.7481 CB :: 38.5718 CD1 :: 131.9250 CD2 :: 131.9250 CE1 :: 118.6787 CE2 :: 118.6787 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 :: 8.0396 HA :: 5.3821 HB2 :: 4.0527 HB3 :: 3.2796 HD1 :: 7.1974 HD2 :: 7.1974 HE1 :: 7.0506 HE2 :: 7.0506 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 :: 117.8638 Ave N Shift Values>> N :: 120.52(4.2) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.22 C 0.19 A 0.07 R 0.04 C Shift Assignments>> C :: 175.4819 CA :: 53.7500 CB :: 43.9093 CG :: 26.4851 CD1 :: 22.9692 CD2 :: 25.7911 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 :: 7.5676 HA :: 4.9362 HB2 :: 1.7534 HB3 :: 1.9315 HD11 :: 0.8955 HD12 :: 0.8955 HD13 :: 0.8955 HD21 :: 0.6802 HD22 :: 0.6802 HD23 :: 0.6802 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 :: 117.5383 Ave N Shift Values>> N :: 121.86(3.9) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 173.9198 CA :: 55.9912 CB :: 40.5833 CD1 :: 134.0490 CD2 :: 134.0490 CE1 :: 118.4166 CE2 :: 118.4166 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 :: 7.0861 HA :: 4.7202 HD1 :: 7.1032 HD2 :: 7.1032 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.6532 Ave N Shift Values>> N :: 120.52(4.2) 1.R48 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.4 K 0.09 G 0.05 L 0.03 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 176.8053 CA :: 58.3385 CB :: 29.1914 CG :: 26.7951 CD :: 43.2509 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 :: 8.2132 HA :: 2.9194 HB2 :: 1.5143 HB3 :: 1.2221 HG2 :: 1.3971 HG3 :: 1.4410 HD2 :: 3.1387 HD3 :: 3.2256 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.9170 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.7939 CA :: 45.0917 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7962 HA2 :: 4.2502 HA3 :: 3.7670 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1166 Ave N Shift Values>> N :: 109.67(3.87) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 K 0.15 Q 0.15 W 0.14 R 0.12 E 0.12 I 0.06 L 0.05 M 0.01 C Shift Assignments>> C :: 172.7672 CA :: 57.7260 CB :: 28.2749 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.6434 HA :: 4.2309 HB2 :: 3.1248 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 :: 117.2523 Ave N Shift Values>> N :: 120.17(4.64) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.25 A 0.02 G 0.01 C Shift Assignments>> C :: 174.9709 CA :: 58.5370 CB :: 42.0923 CG1 :: 26.2627 CG2 :: 19.3147 CD1 :: 14.5277 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 :: 7.9608 HA :: 4.8106 HB :: 1.5554 HG12 :: 1.2624 HG13 :: 1.0398 HG21 :: 0.6623 HG22 :: 0.6623 HG23 :: 0.6623 HD11 :: 0.6301 HD12 :: 0.6301 HD13 :: 0.6301 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 :: 114.1680 Ave N Shift Values>> N :: 121.46(4.28) 1.M52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.41 C 0.31 M 0.11 K 0.07 Q 0.06 I 0.01 C Shift Assignments>> C :: 175.0260 CA :: 54.9191 CB :: 36.2361 CG :: 30.1272 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 :: 7.7165 HA :: 4.1223 HB2 :: 0.9503 HB3 :: 0.8238(S) HG2 :: 0.6433(S) HG3 :: 1.1706 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 :: 120.0612 Ave N Shift Values>> N :: 120.09(3.57) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 175.7330 CA :: 57.9531 CB :: 38.8110 CD1 :: 133.3478 CD2 :: 133.3478 CE1 :: 118.1388 CE2 :: 118.1388 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 :: 8.5002 HA :: 4.3861 HB2 :: 2.9460 HD1 :: 7.1340 HD2 :: 7.1340 HE1 :: 6.7488 HE2 :: 6.7488 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 :: 126.1903 Ave N Shift Values>> N :: 120.52(4.2) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.34 A 0.17 K 0.02 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 54.273 CB :: 40.129 CG :: 28.070 CD1 :: 22.496 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 :: 8.1677 HB2 :: 0.6730 HG :: 0.6117 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 :: 122.5785 Ave N Shift Values>> N :: 121.86(3.9) 1.P55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 176.1450 CA :: 47.0067 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.8516 HA3 :: 3.7646 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 F 0.24 Y 0.23 C 0.15 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> C :: 177.0171 CA :: 60.8960 CB :: 39.9565 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 :: 7.4179 HA :: 4.1377 HB2 :: 3.1176 HB3 :: 2.5627 HD1 :: 7.0060 HD2 :: 7.0060 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 :: 121.8009 Ave N Shift Values>> N :: 120.45(4.18) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.33 C 0.05 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 178.7041 CA :: 55.2151 CB :: 19.2501 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2907 HA :: 3.6798 HB1 :: 1.2988 HB2 :: 1.2988 HB3 :: 1.2988 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0162 Ave N Shift Values>> N :: 123.23(3.54) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.1 K 0.09 Q 0.06 M 0.02 C Shift Assignments>> C :: 177.9922 CA :: 58.8000 CB :: 29.4940 CG :: 35.970 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 :: 8.5879 HA :: 3.9472 HB2 :: 1.9005 HB3 :: 2.0599 HG2 :: 2.2430 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 :: 115.7370 Ave N Shift Values>> N :: 120.67(3.48) 1.K61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.47 R 0.03 C Shift Assignments>> C :: 178.4300 CA :: 58.4695 CB :: 33.2051 CG :: 24.9072 CD :: 29.0581 CE :: 41.5020 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 :: 7.0822 HA :: 3.7289 HB2 :: 0.7893(S) HB3 :: 1.2018 HG2 :: 0.3906(S) HG3 :: 0.8570 HD2 :: 1.3224 HE2 :: 2.7657 HE3 :: 2.7237 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 :: 116.3840 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 176.9231 CA :: 59.0449 CB :: 40.8748 CD1 :: 133.7898 CD2 :: 133.7898 CE1 :: 117.452 CE2 :: 117.452 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 :: 7.6660 HA :: 4.6331 HB2 :: 1.7776 HB3 :: 2.8716 HD1 :: 6.6949 HD2 :: 6.6949 HE1 :: 6.4204 HE2 :: 6.4204 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 :: 112.1557 Ave N Shift Values>> N :: 120.52(4.2) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.18 K 0.09 A 0.02 C Shift Assignments>> C :: 175.6573 CA :: 53.4906 CB :: 41.8037 CG :: 26.8476 CD1 :: 23.7183 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 :: 8.1276 HA :: 4.5537 HB2 :: 1.6471 HB3 :: 1.6511 HG :: 0.7039 HD11 :: 0.7805 HD12 :: 0.7805 HD13 :: 0.7805 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 :: 117.0385 Ave N Shift Values>> N :: 121.86(3.9) 1.S64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8760 CA :: 59.6957 CB :: 62.4620 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2980 HA :: 2.2965(S) HB2 :: 3.4077 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 :: 113.7379 Ave N Shift Values>> N :: 116.28(3.52) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.2570 CA :: 44.9886 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6091 HA2 :: 3.6620 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6973 Ave N Shift Values>> N :: 109.67(3.87) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.F58 1.F58 C Shift Assignments>> C :: 175.0966 CA :: 60.3881 CB :: 37.7296 CG1 :: 27.6225 CG2 :: 17.6298 CD1 :: 11.8707 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 :: 7.4101 HA :: 3.9619 HB :: 1.7453 HG12 :: 0.9684 HG13 :: 0.9933 HG21 :: 0.6540 HG22 :: 0.6540 HG23 :: 0.6540 HD11 :: 0.3379 HD12 :: 0.3379 HD13 :: 0.3379 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 :: 121.7306 Ave N Shift Values>> N :: 121.46(4.28) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9749 CA :: 57.1528 CB :: 63.5653 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4053 HA :: 4.8884 HB2 :: 3.8548 HB3 :: 3.8517 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 :: 120.6532 Ave N Shift Values>> N :: 116.28(3.52) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.3372 CA :: 45.4744 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3381 HA2 :: 4.2664 HA3 :: 3.7688 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0608 Ave N Shift Values>> N :: 109.67(3.87) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.15 C 0.13 L 0.05 K 0.04 D 0.02 C Shift Assignments>> C :: 176.6992 CA :: 59.1935 CB :: 40.4950 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 :: 8.7517 HA :: 4.8327 HB2 :: 2.7905 HB3 :: 2.8878 HD1 :: 7.1380 HD2 :: 7.1380 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 :: 119.4831 Ave N Shift Values>> N :: 120.45(4.18) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.42 C Shift Assignments>> C :: 174.5687 CA :: 59.3252 CB :: 41.3272 CG1 :: 27.0608 CG2 :: 18.4015 CD1 :: 15.4431 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 :: 9.1886 HA :: 4.8804 HB :: 1.9998 HG12 :: 1.1329 HG13 :: 1.3998 HG21 :: 0.8429 HG22 :: 0.8429 HG23 :: 0.8429 HD11 :: 0.8646 HD12 :: 0.8646 HD13 :: 0.8646 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 :: 120.0313 Ave N Shift Values>> N :: 121.46(4.28) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.36 R 0.09 C Shift Assignments>> C :: 175.0391 CA :: 55.0877 CB :: 34.9521 CG :: 25.0264 CD :: 28.8236 CE :: 41.9960 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 :: 7.7796 HA :: 4.9926 HB2 :: 1.2907 HB3 :: 1.9836 HG2 :: 1.2926 HG3 :: 1.5226 HD2 :: 1.5228 HD3 :: 1.3722 HE2 :: 2.8306 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 :: 119.4053 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.44 K 0.02 C Shift Assignments>> C :: 175.0970 CA :: 60.9568 CB :: 32.8304 CG2 :: 22.2866 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 :: 9.0422 HA :: 5.0255 HB :: 1.6548 HG11 :: 0.3330 HG12 :: 0.3330 HG13 :: 0.3330 HG21 :: 0.5514 HG22 :: 0.5514 HG23 :: 0.5514 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 :: 122.0263 Ave N Shift Values>> N :: 121.14(4.54) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.42 Q 0.06 C Shift Assignments>> C :: 173.7638 CA :: 53.8006 CB :: 33.4786 CG :: 33.4867 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 :: 9.4194 HA :: 5.7005 HB2 :: 1.7750 HB3 :: 1.8062 HG2 :: 2.1454 HG3 :: 2.1074 HE21 :: 6.7006 HE22 :: 7.7392 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 :: 128.5663 NE2 :: 109.8811 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.31 L 0.18 C Shift Assignments>> C :: 176.2252 CA :: 56.1347 CB :: 45.4223 CG :: 28.1311 CD1 :: 24.9535 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 :: 8.9179 HA :: 4.8399 HB2 :: 1.4895 HB3 :: 1.8306 HG :: 1.6714 HD11 :: 0.6544 HD12 :: 0.6544 HD13 :: 0.6544 HD21 :: 0.6909 HD22 :: 0.6909 HD23 :: 0.6909 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 :: 128.4512 Ave N Shift Values>> N :: 121.86(3.9) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.35 I 0.01 C 0.01 C Shift Assignments>> C :: 176.6736 CA :: 54.0128 CB :: 16.4952 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4967 HA :: 3.9823 HB1 :: 1.5449 HB2 :: 1.5449 HB3 :: 1.5449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.9617 Ave N Shift Values>> N :: 123.23(3.54) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.37 C 0.35 I 0.13 K 0.09 Q 0.03 C Shift Assignments>> C :: 175.3590 CA :: 57.4903 CB :: 28.6201 CG :: 36.5445 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>> HA :: 4.0287 HB2 :: 2.0711 HB3 :: 2.2235 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) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.16 C Shift Assignments>> C :: 174.1447 CA :: 55.5517 CB :: 35.5813 CG :: 25.4524 CD :: 29.1929 CE :: 41.8675 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 :: 7.7313 HA :: 4.3721 HB2 :: 1.4186 HB3 :: 1.7327 HG2 :: 1.2345 HG3 :: 0.7473 HD2 :: 1.5379 HE2 :: 2.7056 HE3 :: 2.6362 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 :: 121.8423 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.26 Q 0.19 E 0.02 K 0.02 HN Overlap>> 1.E102 1.E102 C Shift Assignments>> C :: 175.3421 CA :: 54.1603 CB :: 31.8007 CG :: 33.4366 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 :: 8.0206 HA :: 5.3022 HB2 :: 1.8685 HB3 :: 1.4915 HG2 :: 2.3346 HG3 :: 1.8943 HE21 :: 7.4468 HE22 :: 6.8605 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 :: 117.6173 NE2 :: 110.0258 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.18 R 0.14 W 0.11 E 0.09 Q 0.06 V 0.02 C Shift Assignments>> C :: 173.8294 CA :: 56.9117 CB :: 32.1119 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 :: 9.7215 HA :: 4.8571 HB2 :: 3.6078 HB3 :: 3.1482 HE1 :: 10.7706 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 :: 125.6380 NE1 :: 131.5271 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 177.7130 CA :: 61.4720 CB :: 31.4971 CG :: 27.1634 CD :: 50.6843 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 :: 5.1312 HB2 :: 1.9483 HB3 :: 1.7126 HG2 :: 1.9825 HG3 :: 2.2657 HD2 :: 3.8318 HD3 :: 3.8197 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.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.35 I 0.01 C Shift Assignments>> C :: 174.3820 CA :: 60.9635 CB :: 35.7795 CG2 :: 21.5873 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 :: 9.1059 HA :: 4.8012 HB :: 1.3464 HG11 :: 0.3094 HG12 :: 0.3094 HG13 :: 0.3094 HG21 :: 0.5497 HG22 :: 0.5497 HG23 :: 0.5497 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 :: 126.5576 Ave N Shift Values>> N :: 121.14(4.54) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.39 K 0.1 G 0.03 C Shift Assignments>> C :: 173.8766 CA :: 56.6979 CB :: 30.7541 CG :: 27.2541 CD :: 43.0379 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 :: 9.4076 HA :: 3.7108 HB2 :: 1.0772 HB3 :: 1.8361 HG2 :: 0.7844 HG3 :: 1.1300 HD2 :: 2.7094 HD3 :: 2.8957 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 :: 129.9118 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.C83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.16 E 0.15 W 0.15 C 0.13 R 0.13 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 172.0269 CA :: 56.8349 CB :: 29.3233 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.6520 HA :: 5.4108 HB2 :: 2.7151 HB3 :: 2.4645 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 :: 128.6673 Ave N Shift Values>> N :: 120.17(4.64) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.38 C 0.17 C Shift Assignments>> C :: 175.6300 CA :: 53.8342 CB :: 44.7911 CG :: 27.2753 CD1 :: 24.9010 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 :: 8.4864 HA :: 4.7922 HB2 :: 1.4764 HB3 :: 1.4784 HG :: 1.4176 HD11 :: 0.7866 HD12 :: 0.7866 HD13 :: 0.7866 HD21 :: 0.8422 HD22 :: 0.8422 HD23 :: 0.8422 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.5850 Ave N Shift Values>> N :: 121.86(3.9) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 175.0668 CA :: 56.5571 CB :: 40.4774 CD1 :: 133.3058 CD2 :: 133.3058 CE1 :: 117.8091 CE2 :: 117.8091 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 :: 8.6297 HA :: 5.1499 HB2 :: 3.0114 HB3 :: 2.7187 HD1 :: 6.6962 HD2 :: 6.6962 HE1 :: 6.6080 HE2 :: 6.6080 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 :: 126.8613 Ave N Shift Values>> N :: 120.52(4.2) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.23 M 0.17 Q 0.11 K 0.11 Y 0.04 F 0.02 I 0.01 V 0.01 R 0.01 C Shift Assignments>> C :: 175.2916 CA :: 56.6963 CB :: 35.2996 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 :: 8.4288 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 :: 128.1370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.63 M 0.35 C 0.01 C Shift Assignments>> C :: 176.7340 CA :: 52.8306 CB :: 17.2003 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.9323 HB1 :: 1.2448 HB2 :: 1.2448 HB3 :: 1.2448 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.9642 CA :: 45.4298 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.9681 HA2 :: 4.0321 HA3 :: 3.6950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 128.2178(S) Ave N Shift Values>> N :: 109.67(3.87) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.3 G 0.16 K 0.09 C Shift Assignments>> C :: 174.0653 CA :: 53.8195 CB :: 33.9496 CG :: 26.5668 CD :: 43.4238 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 :: 7.1968 HA :: 4.5836 HB2 :: 1.7151 HG2 :: 1.4258 HD2 :: 2.8745 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.7653 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.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.23 A 0.18 P 0.07 K 0.05 G 0.01 C Shift Assignments>> C :: 174.8931 CA :: 49.8806 CB :: 23.6183 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8243 HA :: 5.4389 HB1 :: 0.9987 HB2 :: 0.9987 HB3 :: 0.9987 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5198 Ave N Shift Values>> N :: 123.23(3.54) 1.K91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 A 0.21 K 0.14 C Shift Assignments>> C :: 175.0751 CA :: 53.1082 CB :: 35.2355 CG :: 23.0066 CD :: 30.2037 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 :: 8.1604 HA :: 4.7600 HB2 :: 0.7979(S) HB3 :: 0.8945 HG2 :: 0.8004 HG3 :: 1.1189 HD2 :: 1.1472 HE2 :: 2.6928 HE3 :: 2.6953 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 :: 116.2403 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.21 Y 0.17 C Shift Assignments>> C :: 176.8960 CA :: 52.0207 CB :: 39.9681 CD1 :: 129.7167 CD2 :: 129.7167 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 :: 8.4528 HA :: 5.8308 HB2 :: 2.5640 HB3 :: 2.9230 HD1 :: 6.5300 HD2 :: 6.5300 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 :: 120.0837 Ave N Shift Values>> N :: 120.45(4.18) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2262 CA :: 55.7528 CB :: 63.8204 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4245 HA :: 4.8756 HB2 :: 3.9802 HB3 :: 3.4703 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 :: 114.1240 Ave N Shift Values>> N :: 116.28(3.52) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.32 K 0.25 Q 0.25 E 0.07 R 0.04 I 0.02 M 0.02 C Shift Assignments>> C :: 175.4330 CA :: 58.8126 CB :: 28.8073 CG :: 33.8941 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>> HA :: 4.2934 HB2 :: 2.1622 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) 1.G95 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 :: 176.5644 CA :: 46.0825 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0111 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6572 Ave N Shift Values>> N :: 109.67(3.87) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.21 W 0.15 K 0.11 E 0.09 Q 0.08 R 0.06 V 0.01 L 0.01 P 0.01 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 176.3470 CA :: 59.8786 CB :: 28.5124 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2942 HA :: 4.5031 HB2 :: 3.5241 HB3 :: 3.1417 HD1 :: 7.0503 HE1 :: 10.5658 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 :: 123.0538 NE1 :: 130.0888 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> C :: 177.7759 CA :: 60.7653 CB :: 38.1416 CD1 :: 132.5829 CD2 :: 132.5829 CE1 :: 118.2775 CE2 :: 118.2775 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 :: 8.5743 HA :: 3.6496 HB2 :: 3.2391 HB3 :: 2.7443 HD1 :: 6.6836 HD2 :: 6.6836 HE1 :: 6.6731 HE2 :: 6.6731 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 :: 118.5461 Ave N Shift Values>> N :: 120.52(4.2) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 177.4460 CA :: 62.2750 CB :: 28.0036 CG :: 38.9011 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 :: 10.1291 HA :: 3.2879 HB2 :: 2.1153 HB3 :: 1.9206 HG2 :: 2.2528 HG3 :: 2.8273 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 :: 121.2080 Ave N Shift Values>> N :: 120.67(3.48) 1.F99 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.37 Y 0.36 C 0.25 C Shift Assignments>> C :: 177.3529 CA :: 61.2882 CB :: 37.5053 CD1 :: 131.934 CD2 :: 131.934 CE1 :: 130.665 CE2 :: 130.665 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 :: 7.3113 HA :: 2.6198(S) HB2 :: 2.9162 HB3 :: 2.4774 HD1 :: 6.1090 HD2 :: 6.1090 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 :: 118.5026 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) 1.T100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.3810 CA :: 64.8763 CB :: 68.2515 CG2 :: 21.6410 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 :: 7.3539 HA :: 3.0025 HB :: 3.4891 HG21 :: 0.3016(S) HG22 :: 0.3016(S) HG23 :: 0.3016(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 :: 111.6754 Ave N Shift Values>> N :: 115.42(4.75) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.34 R 0.03 G 0.02 C Shift Assignments>> C :: 181.2781 CA :: 57.1389 CB :: 42.6537 CG :: 26.4776 CD1 :: 24.9163 CD2 :: 23.3112 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 :: 7.6679 HA :: 3.8243 HB2 :: 1.2548 HB3 :: 0.7791 HG :: 1.1358 HD11 :: 0.7325 HD12 :: 0.7325 HD13 :: 0.7325 HD21 :: 0.7254 HD22 :: 0.7254 HD23 :: 0.7254 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 :: 124.6403 Ave N Shift Values>> N :: 121.86(3.9) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.28 I 0.25 K 0.02 HN Overlap>> 1.Q78 1.Q78 C Shift Assignments>> C :: 176.6933 CA :: 58.6070 CB :: 29.1959 CG :: 37.5339 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 :: 8.0639 HA :: 3.8333 HB2 :: 1.7101 HG2 :: 2.4955 HG3 :: 2.2241 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 :: 117.6202 Ave N Shift Values>> N :: 120.67(3.48) 1.N103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.48 D 0.21 C 0.08 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> C :: 172.5645 CA :: 53.0748 CB :: 39.1695 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.3356 HA :: 4.4676 HB2 :: 1.9587 HB3 :: 1.2707(S) HD21 :: 7.5859 HD22 :: 6.8330 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.1820 ND2 :: 112.1774 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.19 E 0.11 Y 0.1 F 0.07 M 0.06 D 0.04 L 0.01 K 0.01 I 0.01 C Shift Assignments>> C :: 173.8724 CA :: 54.2394 CB :: 37.2859 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.6512 HA :: 4.2444 HB2 :: 2.8221 HB3 :: 2.4515 HD21 :: 6.7120 HD22 :: 7.4670 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 :: 117.7996 ND2 :: 112.4804 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.25 R 0.1 K 0.04 G 0.03 C Shift Assignments>> C :: 176.0246 CA :: 54.1912 CB :: 42.5462 CG :: 26.504 CD2 :: 26.5006 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 :: 7.9349 HA :: 4.3324 HB2 :: 1.0497 HG :: 0.4839 HD11 :: 0.9243 HD12 :: 0.9243 HD13 :: 0.9243 HD21 :: 0.2680 HD22 :: 0.2680 HD23 :: 0.2680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.9091 Ave N Shift Values>> N :: 121.86(3.9) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.4580 CA :: 44.0935 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2367 HA2 :: 3.5336 HA3 :: 4.4054 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5876 Ave N Shift Values>> N :: 109.67(3.87) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.3 K 0.15 Q 0.13 I 0.06 M 0.01 C Shift Assignments>> C :: 176.3484 CA :: 57.7832 CB :: 29.0292 CG :: 35.5721 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 :: 8.4818 HA :: 3.4121 HB2 :: 1.8097 HB3 :: 1.8872 HG2 :: 2.1992 HG3 :: 2.1133 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 :: 118.9266 Ave N Shift Values>> N :: 120.67(3.48) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.7920 CA :: 44.6201 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5113 HA2 :: 4.2061 HA3 :: 3.3237 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.1279 Ave N Shift Values>> N :: 109.67(3.87) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 F 0.15 K 0.12 Y 0.12 C 0.07 N 0.05 R 0.01 I 0.01 C Shift Assignments>> C :: 175.3012 CA :: 55.5894 CB :: 40.9825 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9241 HA :: 4.7743 HB2 :: 3.0066 HB3 :: 2.2656 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 :: 119.8215 Ave N Shift Values>> N :: 120.65(3.86) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 176.6770 CA :: 61.1482 CB :: 33.8838 CG1 :: 21.9098 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 :: 8.9541 HA :: 4.9478 HB :: 2.1795 HG11 :: 0.8000 HG12 :: 0.8000 HG13 :: 0.8000 HG21 :: 1.0188 HG22 :: 1.0188 HG23 :: 1.0188 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.8468 Ave N Shift Values>> N :: 121.14(4.54) 1.C111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.14 K 0.13 R 0.13 M 0.11 E 0.1 V 0.08 Q 0.05 C Shift Assignments>> C :: 173.1646 CA :: 58.7565 CB :: 31.7535 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2618 HA :: 4.9339 HB2 :: 2.0866 HB3 :: 2.8937 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 :: 122.9148 Ave N Shift Values>> N :: 120.17(4.64) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.1457 CA :: 62.2355 CB :: 32.1905 CG1 :: 21.7126 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 :: 9.1208 HA :: 4.6454 HB :: 2.4073 HG11 :: 0.9794 HG12 :: 0.9794 HG13 :: 0.9794 HG21 :: 1.1999 HG22 :: 1.1999 HG23 :: 1.1999 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 :: 125.4754 Ave N Shift Values>> N :: 121.14(4.54) 1.F113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.2 D 0.19 K 0.16 F 0.15 Y 0.12 C 0.07 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 174.1420 CA :: 56.1039 CB :: 41.2170 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 :: 9.0207 HA :: 4.6522 HB2 :: 1.3020(S) HB3 :: 1.8937 HD1 :: 6.7140 HD2 :: 6.7140 HE1 :: 7.0301 HE2 :: 7.0301 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 :: 126.3970 Ave N Shift Values>> N :: 120.45(4.18) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 M 0.02 C Shift Assignments>> C :: 174.5907 CA :: 53.4672 CB :: 34.9009 CG :: 37.9437 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 :: 9.3428 HA :: 5.3663 HB2 :: 1.9002 HG2 :: 2.1955 HG3 :: 2.0259 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 :: 120.7529 Ave N Shift Values>> N :: 120.67(3.48) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.41 L 0.06 A 0.02 K 0.01 C Shift Assignments>> C :: 174.6070 CA :: 54.6464 CB :: 43.9748 CG :: 23.8703 CD1 :: 26.7201 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 :: 8.9876 HA :: 4.6083 HB2 :: 1.0145 HB3 :: 1.8244 HG :: 0.5534 HD11 :: 0.5040 HD12 :: 0.5040 HD13 :: 0.5040 HD21 :: 1.2680 HD22 :: 1.2680 HD23 :: 1.2680 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 :: 126.8919 Ave N Shift Values>> N :: 121.86(3.9) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.12 M 0.1 N 0.09 A 0.07 Q 0.07 R 0.07 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.7748 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 :: 8.3176 HB2 :: 1.8340 HB3 :: 1.8340 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 :: 126.9820 Ave N Shift Values>> N :: 121.86(3.9) 1.R117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.69 V 0.28 I 0.01 C Shift Assignments>> C :: 175.1570 CA :: 60.8650 CB :: 36.2100 CG1 :: 21.6670 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>> HA :: 4.9427 HB :: 1.8639 HG11 :: 0.7433 HG12 :: 0.7433 HG13 :: 0.7433 HG21 :: 0.8031 HG22 :: 0.8031 HG23 :: 0.8031 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) 1.L123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.03 A 0.02 C Shift Assignments>> C :: 175.1290 CA :: 51.9697 CB :: 44.3670 CG :: 24.3162 CD1 :: 26.9986 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 :: 8.7030 HA :: 5.4214 HB2 :: 1.3895 HB3 :: 2.0283 HG :: 0.9879 HD11 :: 1.8818(S) HD12 :: 1.8818(S) HD13 :: 1.8818(S) HD21 :: 1.1307 HD22 :: 1.1307 HD23 :: 1.1307 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 :: 123.9938 Ave N Shift Values>> N :: 121.86(3.9) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.42 C Shift Assignments>> C :: 175.7704 CA :: 55.3691 CB :: 35.0219 CG :: 25.5608 CD :: 30.1351 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 :: 9.7435 HA :: 4.8504 HB2 :: 1.7729 HG2 :: 1.3207 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 :: 126.3030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 175.1208 CA :: 60.8341 CB :: 33.2604 CG1 :: 23.6970 CG2 :: 21.0340 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 :: 9.6639 HA :: 4.8607 HB :: 1.8517 HG11 :: 0.2700 HG12 :: 0.2700 HG13 :: 0.2700 HG21 :: 0.4475 HG22 :: 0.4475 HG23 :: 0.4475 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 :: 130.9131 Ave N Shift Values>> N :: 121.14(4.54) 1.T126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.7960 CA :: 62.8556 CB :: 69.4905 CG2 :: 20.9879 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 :: 8.8616 HA :: 4.1202 HB :: 3.6266 HG21 :: 0.3258(S) HG22 :: 0.3258(S) HG23 :: 0.3258(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 :: 124.7541 Ave N Shift Values>> N :: 115.42(4.75) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.03 C Shift Assignments>> C :: 175.7700 CA :: 50.1320 CB :: 20.8631 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7064 HA :: 5.1071 HB1 :: 0.9773 HB2 :: 0.9773 HB3 :: 0.9773 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.7444 Ave N Shift Values>> N :: 123.23(3.54) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.16 I 0.09 D 0.06 L 0.05 N 0.03 E 0.01 C Shift Assignments>> C :: 174.6928 CA :: 57.4636 CB :: 39.1470 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 :: 9.5112 HA :: 4.4619 HB2 :: 2.9790 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 :: 125.0025 Ave N Shift Values>> N :: 120.45(4.18) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.15 W 0.14 E 0.14 Q 0.13 M 0.12 K 0.09 C Shift Assignments>> C :: 177.9401 CA :: 55.6329 CB :: 30.7796 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 :: 8.5784 HA :: 4.3777 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.8520 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.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.9550 CA :: 64.5675 CB :: 32.1207 CG1 :: 21.3546 CG2 :: 22.4879 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 :: 9.0389 HA :: 3.8700 HB :: 2.0314 HG11 :: 1.0039 HG12 :: 1.0039 HG13 :: 1.0039 HG21 :: 0.9108 HG22 :: 0.9108 HG23 :: 0.9108 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4439 Ave N Shift Values>> N :: 121.14(4.54) 1.N131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.15 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.4155 CA :: 53.8919 CB :: 38.5501 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 :: 8.7414 HA :: 4.5119 HB2 :: 2.6893 HB3 :: 2.6590 HD21 :: 7.0383 HD22 :: 7.7103 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.6425 ND2 :: 112.1406 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.37 I 0.05 K 0.05 M 0.05 Q 0.02 C Shift Assignments>> C :: 176.1626 CA :: 56.7613 CB :: 29.8367 CG :: 36.7969 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 :: 7.9906 HA :: 4.1043 HB2 :: 1.7221 HB3 :: 1.8224 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 :: 119.2340 Ave N Shift Values>> N :: 120.67(3.48) 1.Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> C :: 174.5685 CA :: 58.1080 CB :: 38.9996 CD1 :: 133.3594 CD2 :: 133.3594 CE1 :: 117.9953 CE2 :: 117.9953 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 :: 7.9705 HA :: 4.5406 HB2 :: 3.1626 HB3 :: 2.7915 HD1 :: 7.0193 HD2 :: 7.0193 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 :: 119.5164 Ave N Shift Values>> N :: 120.52(4.2) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 180.6872 CA :: 63.8102 CB :: 33.1242 CG2 :: 21.2614 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 :: 7.2296 HA :: 3.9334 HB :: 2.0072 HG21 :: 0.8457 HG22 :: 0.8457 HG23 :: 0.8457 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 :: 123.5970 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 121 #Clerical: 0 #Suspicious: 13 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 123 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 2 C Shift Results: #Consistent: 514 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 699 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.A27 HA = 2.3059(S), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9485e-06 1.R48 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.M52 HB3 = 0.8238(S), Expected = 1.99, Std = 0.3400, ChiSquare = 6.0358e-04 1.M52 HG2 = 0.6433(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.8488e-07 1.K61 HB2 = 0.7893(S), Expected = 1.78, Std = 0.2500, ChiSquare = 7.4076e-05 1.K61 HG2 = 0.3906(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.6527e-04 1.S64 HA = 2.2965(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.7950e-08 1.G88 N = 128.2178(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6454e-06 1.K91 HB2 = 0.7979(S), Expected = 1.78, Std = 0.2500, ChiSquare = 8.5513e-05 1.F99 HA = 2.6198(S), Expected = 4.63, Std = 0.5700, ChiSquare = 4.2083e-04 1.F99 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.T100 HG21 = 0.3016(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.6717e-04 1.T100 HG22 = 0.3016(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.6717e-04 1.T100 HG23 = 0.3016(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.6717e-04 1.N103 HB3 = 1.2707(S), Expected = 2.75, Std = 0.3300, ChiSquare = 7.3695e-06 1.F113 HB2 = 1.3020(S), Expected = 3.00, Std = 0.3700, ChiSquare = 4.4497e-06 1.L123 HD11 = 1.8818(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2965e-05 1.L123 HD12 = 1.8818(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2965e-05 1.L123 HD13 = 1.8818(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2965e-05 1.T126 HG21 = 0.3258(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0013e-04 1.T126 HG22 = 0.3258(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0013e-04 1.T126 HG23 = 0.3258(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0013e-04