Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 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.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.83 C 0.07 R 0.05 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.7514 CB :: 32.0959 CG :: 27.5187 CD :: 50.8235 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) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.09 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.2303 CA :: 56.9208 CB :: 30.2982 CG :: 36.2621 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 :: 8.4699 HA :: 4.1816 HB2 :: 1.8821 HB3 :: 1.8821 HG2 :: 2.1225 HG3 :: 2.1225 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 :: 120.687 Ave N Shift Values>> N :: 120.67(3.48) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.2 C Shift Assignments>> C :: 175.3684 CA :: 57.6793 CB :: 39.6221 CD1 :: 131.9604 CD2 :: 131.9604 CE1 :: 131.607 CE2 :: 131.607 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 :: 8.1358 HA :: 4.5882 HB2 :: 3.0104 HB3 :: 3.0104 HD1 :: 7.1808 HD2 :: 7.1808 HE1 :: 7.3053 HE2 :: 7.3053 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 :: 120.8258 Ave N Shift Values>> N :: 120.45(4.18) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.5812 CA :: 61.1368 CB :: 38.7682 CG1 :: 27.2082 CG2 :: 17.3691 CD1 :: 12.5628 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 :: 7.899 HA :: 4.0597 HB :: 1.7207 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 :: 122.5879 Ave N Shift Values>> N :: 121.46(4.28) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.39 C 0.2 C Shift Assignments>> C :: 175.6178 CA :: 57.9167 CB :: 39.5192 CD1 :: 131.9783 CD2 :: 131.9783 CE1 :: 131.6793 CE2 :: 131.6793 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 :: 8.1897 HA :: 4.5678 HB2 :: 3.1225 HB3 :: 3.0682 HD1 :: 7.2686 HD2 :: 7.2686 HE1 :: 7.3476 HE2 :: 7.3476 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 :: 123.8737 Ave N Shift Values>> N :: 120.45(4.18) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 M 0.07 E 0.06 R 0.02 C Shift Assignments>> C :: 175.5396 CA :: 55.8256 CB :: 29.4574 CG :: 33.733 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 :: 8.2075 HA :: 4.2639 HB2 :: 1.9913 HB3 :: 1.9913 HG2 :: 2.3087 HG3 :: 2.3087 HE21 :: 6.8557 HE22 :: 7.5202 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 :: 122.3333 NE2 :: 112.0401 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.11 C Shift Assignments>> C :: 176.7167 CA :: 57.0835 CB :: 33.05 CG :: 24.6209 CD :: 29.1586 CE :: 42.2764 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 :: 8.2425 HA :: 4.1757 HB2 :: 1.7884 HB3 :: 1.7884 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 :: 122.4609 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.07 K 0.07 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.2928 CA :: 56.919 CB :: 30.0355 CG :: 36.3552 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 :: 8.4786 HA :: 4.1892 HB2 :: 1.9232 HB3 :: 1.9232 HG2 :: 2.2295 HG3 :: 2.2295 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 :: 121.0446 Ave N Shift Values>> N :: 120.67(3.48) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.06 K 0.05 C Shift Assignments>> C :: 175.7564 CA :: 56.1939 CB :: 30.8225 CG :: 27.1048 CD :: 43.3264 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 :: 8.1579 HA :: 4.238 HB2 :: 1.6763 HB3 :: 1.6763 HG2 :: 1.1938 HG3 :: 1.1938 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 :: 121.0079 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.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.19 C Shift Assignments>> C :: 175.2514 CA :: 57.4958 CB :: 39.7366 CD1 :: 131.9848 CD2 :: 131.9848 CE1 :: 131.4873 CE2 :: 131.4873 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 :: 8.1385 HA :: 4.651 HB2 :: 3.1604 HB3 :: 2.9715 HD1 :: 7.2486 HD2 :: 7.2486 HE1 :: 7.3277 HE2 :: 7.3277 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 :: 120.2735 Ave N Shift Values>> N :: 120.45(4.18) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.08 F 0.08 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.4505 CA :: 53.3424 CB :: 39.0249 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 :: 8.3692 HB2 :: 2.7403 HB3 :: 2.7403 HD21 :: 6.8905 HD22 :: 7.5964 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 :: 120.196 ND2 :: 112.5884 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.9219 CA :: 60.9989 CB :: 39.3305 CG1 :: 27.1654 CG2 :: 17.7577 CD1 :: 13.2382 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 :: 7.8755 HA :: 4.1681 HB :: 1.7873 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 :: 119.9762 Ave N Shift Values>> N :: 121.46(4.28) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.17 F 0.08 Y 0.06 C 0.05 N 0.05 R 0.04 C Shift Assignments>> C :: 174.9307 CA :: 54.6839 CB :: 41.6952 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 :: 8.3016 HA :: 4.6761 HB2 :: 2.6757 HB3 :: 2.5687 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 :: 124.3028 Ave N Shift Values>> N :: 120.65(3.86) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.21 Q 0.13 K 0.11 H 0.07 R 0.06 P 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 172.2099 CA :: 52.3859 CB :: 33.2079 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 :: 8.0228 HA :: 4.8907 HB2 :: 2.0236 HB3 :: 2.0236 HG2 :: 2.4388 HG3 :: 2.4388 HE1 :: 1.7325 HE2 :: 1.7325 HE3 :: 1.7325 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 :: 122.2789 Ave N Shift Values>> N :: 120.09(3.57) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.6829 CA :: 62.6712 CB :: 32.5089 CG :: 27.3241 CD :: 50.7272 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 :: 4.4316 HB2 :: 2.2923 HB3 :: 1.8516 HG2 :: 2.0523 HG3 :: 2.0324 HD2 :: 3.8675 HD3 :: 3.7523 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.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.33 C 0.3 C Shift Assignments>> C :: 175.3503 CA :: 55.7952 CB :: 31.945 CD2 :: 120.8248 CE1 :: 139.3008 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 :: 8.0231 HA :: 4.734 HB2 :: 2.3737 HB3 :: 2.3342 HD2 :: 7.4545 HE1 :: 7.4384 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 :: 117.4461 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 G 0.18 K 0.01 C Shift Assignments>> C :: 175.4882 CA :: 55.2232 CB :: 31.3126 CG :: 27.216 CD :: 44.0811 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 :: 8.8966 HA :: 4.6485 HB2 :: 1.7853 HB3 :: 1.7754 HG2 :: 1.7051 HG3 :: 1.5586 HD2 :: 3.2361 HD3 :: 3.2321 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 :: 127.1139 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.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 I 0.25 Y 0.24 C 0.14 K 0.03 L 0.02 C Shift Assignments>> C :: 176.7648 CA :: 60.4897 CB :: 40.5859 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 :: 8.2704 HA :: 4.5333 HB2 :: 2.8725 HB3 :: 2.8139 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 :: 121.1421 Ave N Shift Values>> N :: 120.45(4.18) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.12 G 0.01 C Shift Assignments>> C :: 175.3104 CA :: 54.7343 CB :: 36.3949 CG :: 24.6385 CD :: 29.1821 CE :: 42.1812 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 :: 8.5135 HA :: 4.8155 HB2 :: 2.0066 HB3 :: 1.9613 HG2 :: 1.6227 HG3 :: 1.6156 HD2 :: 1.7991 HD3 :: 1.7953 HE2 :: 3.0141 HE3 :: 3.0009 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 :: 122.8361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 174.2645 CA :: 64.5176 CB :: 31.4704 CG1 :: 20.9899 CG2 :: 22.436 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 :: 8.7101 HA :: 4.2698 HB :: 2.0839 HG11 :: 1.044 HG12 :: 1.044 HG13 :: 1.044 HG21 :: 1.1835 HG22 :: 1.1835 HG23 :: 1.1835 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 :: 125.0812 Ave N Shift Values>> N :: 121.14(4.54) 1.Y23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.58 C 0.26 G 0.15 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 171.4835 CA :: 57.7459 CB :: 43.2637 CD1 :: 133.7992 CD2 :: 133.7992 CE1 :: 118.0467 CE2 :: 118.0467 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 :: 8.778 HA :: 4.4658 HB2 :: 2.6674 HB3 :: 2.5832 HD1 :: 5.9219(S) HD2 :: 5.9219(S) HE1 :: 6.5524 HE2 :: 6.5524 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 :: 131.7408 Ave N Shift Values>> N :: 120.52(4.2) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.12 C 0.09 F 0.03 Y 0.02 L 0.02 C Shift Assignments>> CA :: 50.9657 CB :: 38.6832 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 :: 5.0875 HB2 :: 2.7122 HB3 :: 2.4697 HD21 :: 6.8194 HD22 :: 7.4888 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>> ND2 :: 113.6355 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 C 0.33 Q 0.13 K 0.01 C Shift Assignments>> C :: 175.3884 CA :: 55.0249 CB :: 32.7176 CG :: 32.2269 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 :: 4.709 HB2 :: 2.3176 HB3 :: 2.0565 HG2 :: 2.7349 HG3 :: 2.5355 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.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.584 CA :: 56.1273 CB :: 63.7166 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.808 HA :: 4.8473 HB2 :: 3.8208 HB3 :: 3.764 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 :: 114.8364 Ave N Shift Values>> N :: 116.28(3.52) 1.P28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 170.8259 CA :: 62.198 CB :: 72.2926 CG2 :: 20.2592 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 :: 4.2869 HB :: 3.1907 HG21 :: 0.9068 HG22 :: 0.9068 HG23 :: 0.9068 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.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.38 C 0.18 C Shift Assignments>> C :: 174.4132 CA :: 57.6692 CB :: 40.0998 CD1 :: 131.62 CD2 :: 131.62 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 :: 8.7679 HA :: 4.2168 HB2 :: 2.7583 HB3 :: 2.5675 HD1 :: 7.0949 HD2 :: 7.0949 HE1 :: 7.2817 HE2 :: 7.2817 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 :: 124.9814 Ave N Shift Values>> N :: 120.45(4.18) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.12 W 0.12 R 0.12 M 0.1 H 0.1 E 0.09 V 0.06 Q 0.04 C Shift Assignments>> C :: 177.7158 CA :: 58.6143 CB :: 31.7727 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3897 HA :: 3.9363 HB2 :: 3.4101 HB3 :: 3.4056 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 :: 121.777 Ave N Shift Values>> N :: 120.17(4.64) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 R 0.16 F 0.13 Y 0.09 D 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 175.979 CA :: 57.1863 CB :: 42.3114 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.7846 HA :: 4.6324 HB2 :: 2.9626 HB3 :: 2.8959 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 :: 130.271 Ave N Shift Values>> N :: 120.65(3.86) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 H 0.25 W 0.21 C Shift Assignments>> C :: 176.0084 CA :: 59.4191 CB :: 32.7754 CD2 :: 118.0638 CE1 :: 138.1872 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 :: 9.2612 HA :: 4.7697 HB2 :: 3.1673 HB3 :: 2.8204 HD2 :: 7.5188 HE1 :: 7.554 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 :: 120.2918 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.13 V 0.11 W 0.11 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.03 C Shift Assignments>> C :: 177.2008 CA :: 59.2001 CB :: 32.1133 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.6576 HA :: 4.4537 HB2 :: 3.822 HB3 :: 3.6455 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 :: 116.9889 Ave N Shift Values>> N :: 120.17(4.64) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.0237 CA :: 46.4716 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9619 HA2 :: 4.2686 HA3 :: 3.9866 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.6804 Ave N Shift Values>> N :: 109.67(3.87) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2479 CA :: 58.5343 CB :: 65.1203 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5317 HA :: 5.104 HB2 :: 4.2135 HB3 :: 4.2048 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 :: 116.9682 Ave N Shift Values>> N :: 116.28(3.52) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 G 0.06 R 0.01 C Shift Assignments>> C :: 178.2934 CA :: 56.4565 CB :: 43.249 CG :: 26.7375 CD1 :: 24.1122 CD2 :: 24.0325 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 :: 8.7137 HA :: 3.5816 HB2 :: 1.3106 HB3 :: 1.2377 HG :: 1.1716 HD11 :: 0.348 HD12 :: 0.348 HD13 :: 0.348 HD21 :: 0.4328 HD22 :: 0.4328 HD23 :: 0.4328 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 :: 123.6088 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CB :: 31.0713 CD1 :: 127.5212 CZ2 :: 114.7813 CZ3 :: 122.3438 CH2 :: 124.6684 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>> HD1 :: 7.3577 HE1 :: 10.2869 HZ2 :: 7.5511 HZ3 :: 7.0789 HH2 :: 7.2018 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>> NE1 :: 130.3376 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.46 C 0.36 G 0.14 C Shift Assignments>> C :: 177.6271 CA :: 56.8317 CB :: 43.8203 CG :: 27.2584 CD1 :: 23.0279 CD2 :: 23.7585 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 :: 4.3871 HB2 :: 1.7086 HB3 :: 0.8856 HG :: 1.6924 HD11 :: 0.8874 HD12 :: 0.8874 HD13 :: 0.8874 HD21 :: 0.95 HD22 :: 0.95 HD23 :: 0.95 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.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.05 I 0.01 C Shift Assignments>> C :: 174.1294 CA :: 59.6885 CB :: 35.9357 CG1 :: 18.4279 CG2 :: 22.2465 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 :: 7.4014 HA :: 4.4364 HB :: 2.1979 HG11 :: 0.8469 HG12 :: 0.8469 HG13 :: 0.8469 HG21 :: 0.9194 HG22 :: 0.9194 HG23 :: 0.9194 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.8095 Ave N Shift Values>> N :: 121.14(4.54) 1.K43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 169.6239 CA :: 45.266 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.0464 HA3 :: 3.7771 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.32 C 0.15 R 0.03 C Shift Assignments>> C :: 173.2505 CA :: 53.221 CB :: 44.7419 CG :: 27.1215 CD1 :: 26.6979 CD2 :: 24.7435 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 :: 9.0499 HA :: 5.0788 HB2 :: 1.1344 HB3 :: 1.1235 HG :: 1.1415 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 HD21 :: 0.6903 HD22 :: 0.6903 HD23 :: 0.6903 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 :: 119.4642 Ave N Shift Values>> N :: 121.86(3.9) 1.K47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 A 0.27 K 0.02 C Shift Assignments>> C :: 178.4583 CA :: 53.3799 CB :: 35.8192 CG :: 22.8143 CD :: 28.6731 CE :: 39.8337 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 :: 8.9056 HA :: 5.7642(S) HB2 :: 1.4205 HB3 :: 1.4092 HG2 :: 1.0936 HG3 :: 0.851 HD2 :: 1.2205 HD3 :: 0.7039(S) HE2 :: 2.3441 HE3 :: 2.0859(S) 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 :: 120.9838 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 Q 0.1 H 0.1 R 0.09 I 0.07 M 0.02 V 0.01 C Shift Assignments>> C :: 177.4225 CA :: 59.0175 CB :: 29.4056 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.4949 HA :: 4.2781 HB2 :: 3.044 HB3 :: 2.0469 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 :: 131.945 Ave N Shift Values>> N :: 120.17(4.64) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.27 M 0.07 I 0.05 HN Overlap>> 1.Y23 1.Y23 C Shift Assignments>> C :: 175.7338 CA :: 59.1658 CB :: 31.6321 CG :: 37.2956 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 :: 8.8815 HA :: 4.0412 HB2 :: 2.0999 HB3 :: 2.0359 HG2 :: 2.4518 HG3 :: 2.3478 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 :: 131.7505 Ave N Shift Values>> N :: 120.67(3.48) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 F 0.08 D 0.07 K 0.06 C 0.06 Y 0.05 G 0.04 C Shift Assignments>> C :: 176.6855 CA :: 56.5875 CB :: 43.3685 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 :: 8.6767 HA :: 4.8447 HB2 :: 2.5931 HB3 :: 2.4768 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 :: 118.8916 Ave N Shift Values>> N :: 120.65(3.86) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.16 M 0.11 Q 0.09 V 0.09 R 0.08 W 0.08 H 0.07 E 0.05 C Shift Assignments>> C :: 177.122 CA :: 58.6247 CB :: 32.7411 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2383 HA :: 5.0338 HB2 :: 3.3618 HB3 :: 2.99 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.2122 Ave N Shift Values>> N :: 120.17(4.64) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 173.4411 CA :: 46.3398 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8316 HA2 :: 4.1608 HA3 :: 3.6655 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.4712 Ave N Shift Values>> N :: 109.67(3.87) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.42 A 0.02 C Shift Assignments>> C :: 173.9213 CA :: 57.9462 CB :: 34.0534 CG :: 33.0924 CE :: 17.632 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 :: 8.3332 HA :: 4.2345 HB2 :: 2.4346 HB3 :: 1.5365 HG2 :: 2.8177 HG3 :: 2.4848 HE1 :: 0.8835 HE2 :: 0.8835 HE3 :: 0.8835 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 :: 122.8635 Ave N Shift Values>> N :: 120.09(3.57) 1.N54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> D 0.38 N 0.22 L 0.18 C 0.05 K 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.2181 CA :: 51.9999 CB :: 41.2183 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.344 HA :: 5.931(S) HB2 :: 2.8143 HB3 :: 2.104 HD21 :: 7.2257 HD22 :: 8.7026 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.2685 ND2 :: 120.6972(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 A 0.07 I 0.02 C Shift Assignments>> C :: 175.7915 CA :: 57.8714 CB :: 37.5238 CG1 :: 18.885 CG2 :: 22.9409 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 :: 9.5323 HA :: 6.1237(S) HB :: 1.972 HG11 :: 0.0363 HG12 :: 0.0363 HG13 :: 0.0363 HG21 :: 0.8035 HG22 :: 0.8035 HG23 :: 0.8035 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 :: 113.7551 Ave N Shift Values>> N :: 121.14(4.54) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 W 0.34 H 0.24 C Shift Assignments>> C :: 177.8203 CA :: 59.1958 CB :: 31.9115 CD2 :: 119.4993 CE1 :: 139.6434 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 :: 8.1224 HA :: 4.7254 HB2 :: 3.3869 HB3 :: 3.0804 HD2 :: 7.6567 HE1 :: 7.6712 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 :: 119.1169 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.34 H 0.15 C Shift Assignments>> C :: 180.0862 CA :: 61.4306 CB :: 30.3641 CD2 :: 118.9831 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 :: 9.1477 HA :: 4.0556 HB2 :: 3.1558 HB3 :: 3.1525 HD2 :: 7.2649 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 :: 122.3693 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> C :: 177.3058 CA :: 58.3021 CB :: 31.7769 CG :: 25.3771 CD :: 29.2122 CE :: 41.9428 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 :: 4.3308 HB2 :: 1.9878 HB3 :: 1.9639 HG2 :: 1.6402 HG3 :: 1.5501 HD2 :: 1.7157 HD3 :: 1.698 HE2 :: 2.8879 HE3 :: 2.7774 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.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.21 P 0.14 W 0.12 I 0.09 E 0.04 R 0.04 H 0.03 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.8513 CA :: 61.7034 CB :: 30.6225 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.162 HA :: 4.0808 HB2 :: 3.0388 HB3 :: 2.9079 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.0139 Ave N Shift Values>> N :: 120.17(4.64) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.34 K 0.09 G 0.05 C Shift Assignments>> C :: 177.6511 CA :: 60.5315 CB :: 29.7709 CG :: 26.4481 CD :: 43.0198 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 :: 7.0125 HA :: 3.3 HB2 :: 1.6501 HB3 :: 1.5454 HG2 :: 1.4175 HG3 :: 1.1642 HD2 :: 3.1368 HD3 :: 2.9136 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 :: 119.953 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.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 I 0.09 K 0.09 Q 0.04 M 0.02 C Shift Assignments>> C :: 176.4263 CA :: 57.7479 CB :: 29.3405 CG :: 36.3945 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 :: 8.4093 HA :: 4.1948 HB2 :: 2.0333 HB3 :: 2.0224 HG2 :: 2.2864 HG3 :: 2.2756 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 :: 114.3742 Ave N Shift Values>> N :: 120.67(3.48) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.33 R 0.16 C Shift Assignments>> C :: 176.2069 CA :: 55.3085 CB :: 32.3567 CG :: 25.0471 CD :: 28.9793 CE :: 42.2089 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 :: 7.4521 HA :: 4.2047 HB2 :: 1.784 HB3 :: 1.2061 HG2 :: 1.3224 HG3 :: 1.3139 HD2 :: 1.704 HD3 :: 1.6759 HE2 :: 3.0765 HE3 :: 3.0526 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 :: 116.5604 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.0111 CA :: 62.5044 CB :: 32.5585 CG1 :: 21.6939 CG2 :: 22.4036 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 :: 6.8084 HA :: 3.9211 HB :: 2.2627 HG11 :: 1.0352 HG12 :: 1.0352 HG13 :: 1.0352 HG21 :: 1.1985 HG22 :: 1.1985 HG23 :: 1.1985 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.8677 Ave N Shift Values>> N :: 121.14(4.54) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 177.7467 CA :: 51.9788 CB :: 19.7856 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8342 HA :: 4.4507 HB1 :: 1.4962 HB2 :: 1.4962 HB3 :: 1.4962 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.1773 Ave N Shift Values>> N :: 123.23(3.54) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.16 Y 0.04 M 0.04 D 0.04 E 0.03 F 0.03 C Shift Assignments>> C :: 174.9533 CA :: 52.2263 CB :: 37.2005 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 :: 8.5551 HA :: 4.7967 HB2 :: 2.9281 HB3 :: 2.5009 HD21 :: 7.0141 HD22 :: 8.1075 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 :: 120.0755 ND2 :: 113.9193 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.16 A 0.05 G 0.04 C Shift Assignments>> C :: 175.6123 CA :: 52.997 CB :: 42.5812 CG :: 25.8877 CD1 :: 23.4891 CD2 :: 23.4891 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 :: 7.5145 HA :: 4.4638 HB2 :: 1.5973 HB3 :: 1.5943 HG :: 1.4117 HD11 :: 0.8362 HD12 :: 0.8362 HD13 :: 0.8362 HD21 :: 0.8633 HD22 :: 0.8633 HD23 :: 0.8633 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 :: 124.0195 Ave N Shift Values>> N :: 121.86(3.9) 1.C67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.43 P 0.22 C 0.18 W 0.06 V 0.02 K 0.01 E 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 176.1806 CA :: 62.5429 CB :: 28.4535 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2917 HA :: 3.5447 HB2 :: 2.2307 HB3 :: 1.2834(S) 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 :: 125.7017 Ave N Shift Values>> N :: 120.17(4.64) 1.G68 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 :: 174.8072 CA :: 45.7594 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3603 HA2 :: 4.1279 HA3 :: 3.7983 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.7541 Ave N Shift Values>> N :: 109.67(3.87) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.7952 CA :: 61.0879 CB :: 38.2167 CG1 :: 27.3856 CG2 :: 17.5782 CD1 :: 12.7993 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 :: 7.7672 HA :: 4.144 HB :: 1.8534 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 :: 119.8011 Ave N Shift Values>> N :: 121.46(4.28) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.0694 CA :: 53.5209 CB :: 38.7966 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 :: 8.5153 HB2 :: 2.7862 HB3 :: 2.7862 HD21 :: 6.9884 HD22 :: 7.6413 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 :: 121.8003 ND2 :: 112.6893 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.23 K 0.21 M 0.12 E 0.1 R 0.01 C Shift Assignments>> C :: 175.577 CA :: 55.9333 CB :: 29.9145 CG :: 34.0177 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 :: 8.2251 HA :: 4.3604 HB2 :: 1.9735 HB3 :: 1.9735 HG2 :: 2.1147 HG3 :: 2.1147 HE21 :: 6.8825 HE22 :: 7.5553 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 :: 120.5452 NE2 :: 112.062 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.1 G 0.01 C Shift Assignments>> C :: 176.0099 CA :: 56.2851 CB :: 33.2371 CG :: 24.7016 CD :: 29.1884 CE :: 42.2904 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 :: 8.3833 HA :: 4.361 HB2 :: 1.8013 HB3 :: 1.8013 HG2 :: 1.4598 HG3 :: 1.4598 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 :: 122.708 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 176.0553 CA :: 61.2677 CB :: 33.7281 CG1 :: 20.5896 CG2 :: 20.5896 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 :: 8.0699 HA :: 4.449 HB :: 1.9816 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 :: 119.8543 Ave N Shift Values>> N :: 121.14(4.54) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.06 C 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 177.3531 CA :: 53.5261 CB :: 41.4892 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 :: 8.5927 HA :: 4.7174 HB2 :: 2.9714 HB3 :: 2.7072 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 :: 124.3365 Ave N Shift Values>> N :: 120.65(3.86) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2402 CA :: 59.5482 CB :: 63.4031 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4831 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.191 Ave N Shift Values>> N :: 116.28(3.52) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0634 CA :: 59.1491 CB :: 64.0063 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4848 HA :: 4.5083 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.0199 Ave N Shift Values>> N :: 116.28(3.52) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.8371 CA :: 45.3809 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3242 HA2 :: 4.0525 HA3 :: 3.7693 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5283 Ave N Shift Values>> N :: 109.67(3.87) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.36 K 0.07 G 0.06 C Shift Assignments>> C :: 175.9227 CA :: 55.8403 CB :: 31.0873 CG :: 27.3685 CD :: 43.3718 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 :: 8.0214 HA :: 4.3512 HB2 :: 1.7791 HB3 :: 1.7791 HG2 :: 1.5553 HG3 :: 1.5553 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 :: 121.0794 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.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.3926 CA :: 61.3088 CB :: 38.4428 CG1 :: 27.734 CG2 :: 17.5972 CD1 :: 12.5478 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 :: 8.31 HA :: 4.2371 HB :: 1.8133 HG12 :: 1.3233 HG13 :: 1.3233 HG21 :: 0.8552 HG22 :: 0.8552 HG23 :: 0.8552 HD11 :: -0.1355 HD12 :: -0.1355 HD13 :: -0.1355 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.1641 Ave N Shift Values>> N :: 121.46(4.28) 1.V80 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 :: 176.0823 CA :: 62.1723 CB :: 33.0252 CG1 :: 20.887 CG2 :: 20.887 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 :: 8.3927 HA :: 4.2452 HB :: 2.0563 HG11 :: 0.9268 HG12 :: 0.9268 HG13 :: 0.9268 HG21 :: 0.9537 HG22 :: 0.9537 HG23 :: 0.9537 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 :: 126.3066 Ave N Shift Values>> N :: 121.14(4.54) 1.T81 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 :: 173.5452 CA :: 61.3847 CB :: 70.0354 CG2 :: 21.0524 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 :: 8.3002 HA :: 4.4376 HG21 :: 1.3427 HG22 :: 1.3427 HG23 :: 1.3427 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 :: 118.025 Ave N Shift Values>> N :: 115.42(4.75) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 R 0.15 D 0.13 F 0.1 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 180.8336 CA :: 56.0321 CB :: 42.333 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 :: 7.9479 HA :: 4.411 HB2 :: 2.673 HB3 :: 2.6032 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 :: 128.093 Ave N Shift Values>> N :: 120.65(3.86) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 77 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 82 #Suspicious: 0 C Shift Results: #Consistent: 319 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 433 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Y23 HD1 = 5.9219(S), Expected = 6.93, Std = 0.3000, ChiSquare = 7.7848e-04 1.Y23 HD2 = 5.9219(S), Expected = 6.93, Std = 0.3000, ChiSquare = 7.7848e-04 1.K47 HA = 5.7642(S), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8401e-04 1.K47 HD3 = 0.7039(S), Expected = 1.60, Std = 0.2200, ChiSquare = 4.6375e-05 1.K47 HE3 = 2.0859(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.7805e-05 1.N54 HA = 5.931(S), Expected = 4.67, Std = 0.3600, ChiSquare = 4.6043e-04 1.N54 ND2 = 120.6972(S), Expected = 112.75, Std = 2.2300, ChiSquare = 3.6557e-04 1.V55 HA = 6.1237(S), Expected = 4.19, Std = 0.5800, ChiSquare = 8.5617e-04 1.C67 HB3 = 1.2834(S), Expected = 2.89, Std = 0.4600, ChiSquare = 4.7833e-04