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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.2497 CA :: 58.3359 CB :: 63.9052 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.5403 HB2 :: 3.8951 HB3 :: 3.8951 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.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.1 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.2552 CA :: 54.4183 CB :: 41.1323 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 :: 8.5812 HA :: 4.6132 HB2 :: 2.6936 HB3 :: 2.6936 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.4216 Ave N Shift Values>> N :: 120.65(3.86) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.6920 CA :: 56.4311 CB :: 32.7883 CG :: 24.7296 CD :: 29.0674 CE :: 42.1558 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 :: 8.3071 HA :: 4.3128 HB2 :: 1.7501 HB3 :: 1.8365 HG2 :: 1.4060 HG3 :: 1.4060 HD2 :: 1.6536 HD3 :: 1.6536 HE2 :: 2.9893 HE3 :: 2.9893 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 :: 121.1285 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.25 C 0.24 E 0.11 M 0.06 R 0.02 C Shift Assignments>> C :: 176.4730 CA :: 56.5557 CB :: 29.4959 CG :: 34.0889 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 :: 8.4684 HA :: 4.3209 HB2 :: 2.0726 HB3 :: 2.1654 HG2 :: 2.4020 HG3 :: 2.0420 HE21 :: 6.8970 HE22 :: 7.6200 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.6013 NE2 :: 112.5330 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.7751 CA :: 45.1489 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5515 HA2 :: 4.0665 HA3 :: 4.0081 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4304 Ave N Shift Values>> N :: 109.67(3.87) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 G 0.07 K 0.05 C Shift Assignments>> C :: 176.7274 CA :: 56.0109 CB :: 30.9981 CG :: 27.1891 CD :: 43.4209 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 :: 8.1382 HA :: 4.8377 HB2 :: 1.5980 HB3 :: 1.7275 HG2 :: 1.3580 HG3 :: 1.3580 HD2 :: 2.3650 HD3 :: 2.7390 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7852 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.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.9893 CA :: 60.3943 CB :: 71.5110 CG2 :: 21.3500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1469 HA :: 4.7615 HB :: 4.2928 HG21 :: 1.2715 HG22 :: 1.2715 HG23 :: 1.2715 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.8668 Ave N Shift Values>> N :: 115.42(4.75) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.18 F 0.11 Y 0.08 R 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 176.2132 CA :: 55.7798 CB :: 41.7230 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 :: 8.6153 HA :: 4.7701 HB2 :: 2.6115 HB3 :: 2.7441 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.1753 Ave N Shift Values>> N :: 120.65(3.86) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 R 0.14 K 0.12 C 0.12 H 0.11 W 0.1 L 0.09 E 0.08 I 0.02 M 0.01 C Shift Assignments>> CA :: 56.1881 CB :: 28.0462 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2405 HA :: 5.2240 HB2 :: 2.8580 HB3 :: 2.9110 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 :: 120.6951 Ave N Shift Values>> N :: 120.17(4.64) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.0513 CA :: 64.5939 CB :: 32.2411 CG :: 27.1275 CD :: 51.4832 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 :: 4.6388 HB2 :: 2.4449 HB3 :: 2.1060 HG2 :: 2.0802 HG3 :: 2.0802 HD2 :: 3.7950 HD3 :: 4.0827 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.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.05 L 0.03 C 0.03 C Shift Assignments>> C :: 177.0685 CA :: 52.9933 CB :: 20.1847 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7621 HA :: 4.3226 HB1 :: 1.5393 HB2 :: 1.5393 HB3 :: 1.5393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.9743 Ave N Shift Values>> N :: 123.23(3.54) 1.L13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.61 C 0.2 L 0.17 C Shift Assignments>> CA :: 52.3128 CB :: 40.8009 CG :: 26.3432 CD1 :: 21.5686 CD2 :: 21.5686 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 :: 7.4605 HA :: 4.3457 HB2 :: 0.9920 HB3 :: 1.5040 HG :: 0.3902(S) HD11 :: -0.2333(S) HD12 :: -0.2333(S) HD13 :: -0.2333(S) HD21 :: -0.2333(S) HD22 :: -0.2333(S) HD23 :: -0.2333(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.1319 Ave N Shift Values>> N :: 121.86(3.9) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.48 C Shift Assignments>> CA :: 62.2111 CB :: 29.9339 CG :: 27.9393 CD :: 50.0510 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 :: 4.6710 HB2 :: 1.9620 HB3 :: 2.6345 HG2 :: 1.8750 HG3 :: 1.9130 HD2 :: 2.6445 HD3 :: 3.2317 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.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.8187 CA :: 64.6442 CB :: 32.1002 CG :: 27.9742 CD :: 50.1820 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 :: 4.3986 HB2 :: 2.4115 HB3 :: 1.9246 HG2 :: 2.1120 HG3 :: 2.1870 HD2 :: 3.6660 HD3 :: 3.9247 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.G16 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 :: 174.8716 CA :: 45.4960 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5946 HA2 :: 3.6999 HA3 :: 4.2919 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.4751 Ave N Shift Values>> N :: 109.67(3.87) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 177.0056 CA :: 59.2224 CB :: 30.5309 CD1 :: 127.8790 CE3 :: 120.5690 CZ2 :: 113.5080 CZ3 :: 122.0380 CH2 :: 123.9700 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.9054 HA :: 4.8220 HB2 :: 3.2295 HB3 :: 3.3506 HD1 :: 7.5010 HE1 :: 10.7890 HE3 :: 7.5080 HZ2 :: 7.4770 HZ3 :: 6.5830 HH2 :: 6.3300 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.4823 NE1 :: 129.4671 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.39 K 0.04 G 0.03 C Shift Assignments>> C :: 174.4826 CA :: 54.4510 CB :: 38.3082 CG :: 25.3184 CD :: 29.4280 CE :: 42.4894 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 :: 8.9427 HA :: 5.4068 HB2 :: 1.7414 HB3 :: 1.7414 HG2 :: 1.3835 HG3 :: 1.3835 HD2 :: 1.3800 HD3 :: 1.4990 HE2 :: 2.8426 HE3 :: 2.8426 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 :: 120.5201 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.33 R 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 174.8716 CA :: 54.6157 CB :: 36.6172 CG :: 23.9218 CD :: 29.1269 CE :: 41.9298 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 :: 9.2577 HA :: 5.2909 HB2 :: 1.4110 HB3 :: 1.5050 HG2 :: 0.8190 HG3 :: 1.0160 HD2 :: 1.4660 HD3 :: 1.4660 HE2 :: 2.6730 HE3 :: 2.7820 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 :: 121.3108 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E20 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.21 Q 0.11 K 0.1 I 0.02 C Shift Assignments>> C :: 173.1160 CA :: 55.7818 CB :: 36.1539(S) CG :: 30.3733(S) 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 :: 9.3130 HA :: 4.7539 HB2 :: 1.9509 HB3 :: 2.2230 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.0618 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.29 M 0.27 Q 0.01 C Shift Assignments>> C :: 175.3860 CA :: 54.7848 CB :: 31.8951 CG :: 36.6867 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 :: 8.5788 HA :: 5.1723 HB2 :: 1.8287 HB3 :: 1.9443 HG2 :: 2.0530 HG3 :: 2.0530 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.0818 Ave N Shift Values>> N :: 120.67(3.48) 1.V22 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 :: 175.9437 CA :: 61.6693 CB :: 34.9312 CG1 :: 21.8280 CG2 :: 21.1640 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 :: 9.1994 HA :: 4.4413 HB :: 2.2074 HG11 :: 1.0590 HG12 :: 1.0590 HG13 :: 1.0590 HG21 :: 1.0770 HG22 :: 1.0770 HG23 :: 1.0770 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.3399 Ave N Shift Values>> N :: 121.14(4.54) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 176.3298 CA :: 60.6096 CB :: 38.1503 CG1 :: 28.1744 CG2 :: 17.4192 CD1 :: 12.3974 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 :: 8.9298 HA :: 4.4286 HB :: 1.8066 HG12 :: 1.2385 HG13 :: 1.5280 HG21 :: 0.9268 HG22 :: 0.9268 HG23 :: 0.9268 HD11 :: 0.8346 HD12 :: 0.8346 HD13 :: 0.8346 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 :: 130.9782 Ave N Shift Values>> N :: 121.46(4.28) 1.R24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.27 G 0.25 C Shift Assignments>> C :: 179.1888 CA :: 58.1981 CB :: 30.8974 CG :: 27.5344 CD :: 44.5160 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 :: 9.3375 HA :: 4.6317 HB2 :: 1.8134 HB3 :: 1.8134 HG2 :: 1.9890 HG3 :: 1.9890 HD2 :: 2.9650 HD3 :: 3.0570 HE :: 9.713(S) HH11 :: 7.592 HH12 :: 7.801 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.1281 NE :: 85.286 NH1 :: 68.976 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.09 C Shift Assignments>> C :: 176.5213 CA :: 57.5786 CB :: 34.5198 CG :: 25.0093 CD :: 28.8823 CE :: 42.0994 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 :: 9.0508 HA :: 4.3908 HB2 :: 1.9686 HB3 :: 1.9686 HG2 :: 1.5902 HG3 :: 1.6564 HD2 :: 1.7597 HD3 :: 1.7597 HE2 :: 3.1092 HE3 :: 3.1092 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.4297 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 171.5324 CA :: 57.7034 CB :: 66.2112 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4463 HA :: 4.8237 HB2 :: 3.8724 HB3 :: 3.8724 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 :: 116.3606 Ave N Shift Values>> N :: 116.28(3.52) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 176.0384 CA :: 44.0777 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0984 HA2 :: 3.8535 HA3 :: 4.5307 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.3906 Ave N Shift Values>> N :: 109.67(3.87) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.04 C Shift Assignments>> C :: 179.3396 CA :: 57.7085 CB :: 41.8538 CG :: 27.2680 CD1 :: 25.2386 CD2 :: 23.2852 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 :: 9.0408 HA :: 4.1581 HB2 :: 1.8755 HB3 :: 1.6899 HG :: 1.8490 HD11 :: 1.0540 HD12 :: 1.0540 HD13 :: 1.0540 HD21 :: 0.9756 HD22 :: 0.9756 HD23 :: 0.9756 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 :: 122.5327 Ave N Shift Values>> N :: 121.86(3.9) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.8618 CA :: 57.4537 CB :: 63.1548 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4783 HA :: 4.4689 HB2 :: 3.9279 HB3 :: 4.1974 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.1565 Ave N Shift Values>> N :: 116.28(3.52) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.01 C 0.01 C Shift Assignments>> C :: 178.3110 CA :: 54.3781 CB :: 17.7455 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.9461 HA :: 3.5073 HB1 :: 1.1300 HB2 :: 1.1300 HB3 :: 1.1300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8083 Ave N Shift Values>> N :: 123.23(3.54) 1.G31 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 :: 174.8039 CA :: 45.0937 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4835 HA2 :: 3.4808 HA3 :: 4.5416 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3398 Ave N Shift Values>> N :: 109.67(3.87) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.35 R 0.23 C Shift Assignments>> C :: 174.6413 CA :: 57.0191 CB :: 33.9340 CG :: 25.5769 CD :: 30.3512 CE :: 42.1129 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 :: 8.1092 HA :: 4.4481 HB2 :: 1.9564 HB3 :: 1.9564 HG2 :: 1.4590 HG3 :: 1.6090 HD2 :: 1.5762 HD3 :: 1.7037 HE2 :: 2.9910 HE3 :: 2.9910 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 :: 122.8217 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.7571 CA :: 57.0187 CB :: 65.7954 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6508 HA :: 5.4101 HB2 :: 3.7085 HB3 :: 3.7085 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1640 Ave N Shift Values>> N :: 116.28(3.52) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.16 C 0.03 R 0.02 D 0.02 C Shift Assignments>> C :: 173.3396 CA :: 53.4873 CB :: 45.1133 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 :: 8.7491 HA :: 5.0150 HB2 :: 1.9784 HB3 :: 2.3530 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.6696 Ave N Shift Values>> N :: 120.65(3.86) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 173.5323 CA :: 61.6196 CB :: 33.4102 CG1 :: 22.0554 CG2 :: 22.0833 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 :: 8.2008 HA :: 4.4760 HB :: 1.8695 HG11 :: 0.5403 HG12 :: 0.5403 HG13 :: 0.5403 HG21 :: 0.9203 HG22 :: 0.9203 HG23 :: 0.9203 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.6379 Ave N Shift Values>> N :: 121.14(4.54) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 G 0.25 C 0.19 C Shift Assignments>> C :: 174.0382 CA :: 54.8847 CB :: 43.4123 CD1 :: 133.3360 CD2 :: 133.3360 CE1 :: 117.3600 CE2 :: 117.3600 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 :: 8.6579 HA :: 5.4802 HB2 :: 2.5854 HB3 :: 2.5854 HD1 :: 7.0540 HD2 :: 7.0540 HE1 :: 6.7380 HE2 :: 6.7380 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 :: 122.7413 Ave N Shift Values>> N :: 120.52(4.2) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 G 0.22 C 0.18 C Shift Assignments>> C :: 174.9384 CA :: 56.8884 CB :: 43.6177 CD1 :: 132.7440 CD2 :: 132.7440 CE1 :: 117.5560 CE2 :: 117.5560 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 :: 8.5453 HA :: 5.6322 HB2 :: 3.2891 HB3 :: 2.8448 HD1 :: 6.8500 HD2 :: 6.8500 HE1 :: 6.0260 HE2 :: 6.0260 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 :: 116.6229 Ave N Shift Values>> N :: 120.52(4.2) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.22 C 0.14 G 0.02 C Shift Assignments>> C :: 175.3126 CA :: 55.7915 CB :: 42.4821 CD1 :: 131.2000 CD2 :: 131.200 CE1 :: 131.2000 CE2 :: 131.200 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 :: 9.5843 HA :: 5.7325 HB2 :: 2.6159 HB3 :: 2.7419 HD1 :: 6.8700 HD2 :: 6.8700 HE1 :: 7.2660 HE2 :: 7.2600 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 :: 118.6463 Ave N Shift Values>> N :: 120.45(4.18) 1.S39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.5616 CB :: 62.8246 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9930 HA :: 2.0050(S) HB2 :: 3.3050 HB3 :: 3.8290 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.1746 Ave N Shift Values>> N :: 116.28(3.52) 1.P40 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 64.9080 CB :: 31.6306 CG :: 27.8802 CD :: 49.0928 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 :: 4.1852 HB2 :: 1.9150 HB3 :: 2.3950 HG2 :: 1.7490 HG3 :: 2.1100 HD2 :: 1.6337(S) HD3 :: 3.2323 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) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (HD2 > HG3 : 0.9949) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.9452 CA :: 57.8085 CB :: 63.5785 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4809 HB2 :: 4.1044 HB3 :: 3.8302 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.G42 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 :: 174.0215 CA :: 45.4679 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3484 HA2 :: 4.3022 HA3 :: 3.5842 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.8216 Ave N Shift Values>> N :: 109.67(3.87) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.38 R 0.15 C Shift Assignments>> C :: 174.1799 CA :: 56.3303 CB :: 32.8206 CG :: 24.8024 CD :: 28.8047 CE :: 42.0980 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 :: 7.4482 HA :: 4.1425 HB2 :: 1.5254 HB3 :: 1.5254 HG2 :: 0.9180 HG3 :: 1.2370 HD2 :: 1.4450 HD3 :: 1.4450 HE2 :: 2.7920 HE3 :: 2.7920 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 :: 122.0059 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.44 R 0.07 C Shift Assignments>> C :: 175.7774 CA :: 55.7788 CB :: 35.3262 CG :: 24.9098 CD :: 29.6233 CE :: 41.5342 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 :: 8.0948 HA :: 4.5188 HB2 :: 1.5524 HB3 :: 1.5524 HG2 :: 0.5370 HG3 :: 0.7370 HD2 :: 1.3055 HD3 :: 1.3055 HE2 :: 2.1607(S) HE3 :: 2.2825 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.2472 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.18 G 0.09 C Shift Assignments>> C :: 176.5061 CA :: 57.8448 CB :: 43.1852 CD1 :: 131.3150 CD2 :: 131.3150 CE1 :: 131.7330 CE2 :: 131.7330 CZ :: 129.2910 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 :: 9.6857 HA :: 4.7242 HB2 :: 3.0680 HB3 :: 3.1670 HD1 :: 7.0290 HD2 :: 7.0290 HE1 :: 7.2260 HE2 :: 7.2260 HZ :: 5.9450 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 :: 124.7352 Ave N Shift Values>> N :: 120.45(4.18) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.44 R 0.07 C Shift Assignments>> C :: 175.1444 CA :: 55.1910 CB :: 34.0111 CG :: 26.3459 CD :: 44.7620 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 :: 9.3215 HA :: 5.3540 HB2 :: 2.0532 HB3 :: 2.2664 HG2 :: 1.6930 HG3 :: 1.8540 HD2 :: 3.2740 HD3 :: 3.4520 HE :: 6.863 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 :: 116.3891 NE :: 81.078 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.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 172.6815 CA :: 56.7343 CB :: 66.5672 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8393 HA :: 3.9989 HB2 :: 3.8710 HB3 :: 4.2470 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 :: 113.5747 Ave N Shift Values>> N :: 116.28(3.52) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.3 G 0.12 C Shift Assignments>> CA :: 61.8010 CB :: 30.0158 CG :: 23.3766 CD :: 26.9994 CE :: 43.2759 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 :: 9.0790 HA :: 4.0865 HB2 :: 1.7610 HB3 :: 2.2740 HD2 :: 1.5230 HD3 :: 1.6140 HE2 :: 3.2220 HE3 :: 3.2220 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 :: 123.0457 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 179.6504 CA :: 66.0627 CB :: 31.4395 CG :: 28.8263 CD :: 50.1369 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 :: 4.3790 HB2 :: 1.9098 HB3 :: 2.3793 HG2 :: 2.0190 HG3 :: 2.1390 HD2 :: 3.8920 HD3 :: 4.1090 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.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.23 E 0.09 I 0.03 M 0.02 R 0.02 C Shift Assignments>> C :: 179.6719 CA :: 59.2963 CB :: 29.3055 CG :: 34.0581 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.4779 HA :: 4.1520 HB2 :: 2.4147 HB3 :: 2.5688 HG2 :: 2.6083 HG3 :: 2.8967 HE21 :: 7.1240 HE22 :: 7.7860 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.0283 NE2 :: 112.8300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L51 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 R 0.37 G 0.08 C Shift Assignments>> C :: 177.9862 CA :: 58.1280 CB :: 43.4789 CG :: 31.3163(S) CD1 :: 25.6418 CD2 :: 25.6418 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 :: 8.0646 HA :: 3.7569 HB2 :: 1.6351 HB3 :: 1.6351 HG :: 0.1590(S) HD11 :: 0.1595 HD12 :: 0.1595 HD13 :: 0.1595 HD21 :: 0.1595 HD22 :: 0.1595 HD23 :: 0.1595 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.9507 Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 181.4775 CA :: 54.7581 CB :: 18.3023 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0150 HA :: 4.0000 HB1 :: 1.4112 HB2 :: 1.4112 HB3 :: 1.4112 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.9388 Ave N Shift Values>> N :: 123.23(3.54) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.35 G 0.13 K 0.03 C Shift Assignments>> C :: 177.8493 CA :: 59.0192 CB :: 30.6200 CG :: 28.1832 CD :: 43.8290 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 :: 8.0105 HA :: 4.0846 HB2 :: 2.0186 HB3 :: 2.0186 HG2 :: 1.7230 HG3 :: 1.9290 HD2 :: 3.2620 HD3 :: 3.3593 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 :: 117.6261 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.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 177.6223 CA :: 60.9080 CB :: 40.5899 CD1 :: 133.6690 CD2 :: 133.6690 CE1 :: 118.2920 CE2 :: 118.2920 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 :: 7.5080 HA :: 4.4056 HB2 :: 3.4267 HB3 :: 2.8874 HD1 :: 7.2400 HD2 :: 7.2400 HE1 :: 7.1160 HE2 :: 7.1160 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 :: 119.0165 Ave N Shift Values>> N :: 120.52(4.2) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.29 R 0.15 G 0.04 A 0.01 C Shift Assignments>> C :: 178.9429 CA :: 56.1902 CB :: 43.0109 CG :: 27.4323 CD1 :: 25.6915 CD2 :: 23.2725 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 :: 8.4174 HA :: 4.0509 HB2 :: 1.1934 HB3 :: 1.7096 HG :: 1.5217 HD11 :: 0.1345 HD12 :: 0.1345 HD13 :: 0.1345 HD21 :: 0.7904 HD22 :: 0.7904 HD23 :: 0.7904 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 :: 117.8374 Ave N Shift Values>> N :: 121.86(3.9) 1.G56 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 :: 174.1731 CA :: 46.1359 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9042 HA2 :: 3.9730 HA3 :: 3.7933 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2516 Ave N Shift Values>> N :: 109.67(3.87) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.12 D 0.11 Y 0.09 F 0.08 L 0.03 E 0.02 M 0.02 C Shift Assignments>> C :: 175.9947 CA :: 53.7030 CB :: 38.1552 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 :: 8.4611 HA :: 4.5749 HB2 :: 2.8436 HB3 :: 2.8436 HD21 :: 6.8810 HD22 :: 7.5700 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 :: 118.5345 ND2 :: 111.7840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.17 C 0.03 L 0.02 C Shift Assignments>> C :: 177.5053 CA :: 54.1340 CB :: 19.5328 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9222 HA :: 4.1509 HB1 :: 1.4429 HB2 :: 1.4429 HB3 :: 1.4429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0713 Ave N Shift Values>> N :: 123.23(3.54) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 173.2703 CA :: 60.3241 CB :: 34.7682 CG1 :: 21.1794 CG2 :: 21.0626 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 :: 7.0724 HA :: 4.0846 HB :: 1.6688 HG11 :: 0.5697 HG12 :: 0.5697 HG13 :: 0.5697 HG21 :: 0.6613 HG22 :: 0.6613 HG23 :: 0.6613 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 :: 113.3685 Ave N Shift Values>> N :: 121.14(4.54) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.23 L 0.16 F 0.07 Y 0.05 C 0.05 K 0.03 C Shift Assignments>> C :: 176.8837 CA :: 53.3058 CB :: 40.6260 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 :: 8.3643 HA :: 4.6512 HB2 :: 2.5862 HB3 :: 2.8563 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 :: 124.0545 Ave N Shift Values>> N :: 120.65(3.86) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.2 A 0.16 C Shift Assignments>> C :: 178.6191 CA :: 53.8289 CB :: 41.2579 CG :: 26.0688 CD1 :: 25.9132 CD2 :: 22.3074 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 :: 8.9402 HA :: 4.3825 HB2 :: 1.6587 HB3 :: 1.6587 HG :: 1.4230 HD11 :: 0.4655 HD12 :: 0.4655 HD13 :: 0.4655 HD21 :: 0.0280 HD22 :: 0.0280 HD23 :: 0.0280 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 :: 126.1569 Ave N Shift Values>> N :: 121.86(3.9) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.23 P 0.19 I 0.18 C 0.05 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 176.3051 CA :: 62.7680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8129 HA :: 4.3895 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.9649 Ave N Shift Values>> N :: 116.28(3.52) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.15 Q 0.12 W 0.1 K 0.09 I 0.08 E 0.08 H 0.08 L 0.08 C Shift Assignments>> C :: 173.1695 CA :: 57.9799 CB :: 27.6981 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4359 HA :: 4.6533 HB2 :: 2.8864 HB3 :: 3.2271 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 :: 117.4173 Ave N Shift Values>> N :: 120.17(4.64) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.24 C 0.19 C Shift Assignments>> CA :: 57.6343 CB :: 41.2197 CD1 :: 130.9710 CD2 :: 130.9710 CE1 :: 130.4550 CE2 :: 130.4550 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 :: 7.4779 HA :: 4.5870 HB2 :: 2.7000 HB3 :: 2.7000 HD1 :: 6.7440 HD2 :: 6.7440 HE1 :: 6.6700 HE2 :: 6.6700 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 :: 122.4885 Ave N Shift Values>> N :: 120.45(4.18) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.29 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.2092 CA :: 52.9385 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.37 C 0.15 C Shift Assignments>> C :: 176.9260 CA :: 61.6588 CB :: 41.0960 CD1 :: 131.9340 CD2 :: 131.9340 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 :: 8.9332 HA :: 3.7600 HB2 :: 3.0000 HB3 :: 3.4200 HD1 :: 7.1080 HD2 :: 7.0180 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 :: 128.3038 Ave N Shift Values>> N :: 120.45(4.18) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 K 0.07 G 0.02 C Shift Assignments>> CA :: 59.2337 CB :: 29.7488 CG :: 27.2625 CD :: 42.6817 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 :: 8.7570 HA :: 4.0590 HB2 :: 1.9930 HB3 :: 2.2600 HG2 :: 1.7000 HG3 :: 1.7000 HD2 :: 3.3013 HD3 :: 3.3013 HE :: 7.932 HH11 :: 6.806 HH12 :: 6.806 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 :: 116.6870 NE :: 84.099 NH1 :: 70.847 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.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.8692 CA :: 62.0618 CB :: 70.8830 CG2 :: 21.6738 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 :: 4.2847 HB :: 4.1500 HG21 :: 1.1925 HG22 :: 1.1925 HG23 :: 1.1925 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.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.3051 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4391 HA2 :: 3.7680 HA3 :: 3.8330 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.3324 Ave N Shift Values>> N :: 109.67(3.87) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.5 C 0.37 R 0.1 G 0.01 C Shift Assignments>> C :: 175.5839 CA :: 54.6818 CB :: 35.2837 CG :: 24.8260 CD :: 29.2069 CE :: 42.1227 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 :: 4.4613 HB2 :: 1.7222 HB3 :: 1.5646 HG2 :: 1.3117 HG3 :: 1.3117 HD2 :: 1.6350 HD3 :: 1.6350 HE2 :: 2.9880 HE3 :: 2.9880 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.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.3 C 0.25 C Shift Assignments>> C :: 176.0514 CA :: 54.3732 CB :: 32.0970 CG :: 32.8785 CE :: 17.4820 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 :: 8.4108 HA :: 4.8399 HB2 :: 2.0541 HB3 :: 2.0541 HG2 :: 2.6670 HG3 :: 2.7650 HE1 :: 2.0330 HE2 :: 2.0330 HE3 :: 2.0330 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.1536 Ave N Shift Values>> N :: 120.09(3.57) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.46 A 0.04 C Shift Assignments>> CA :: 56.9619 CB :: 33.9358 CG :: 32.6476 CE :: 16.8980 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 :: 8.4081 HA :: 4.2710 HB2 :: 1.9275 HB3 :: 2.1035 HG2 :: 2.4437 HG3 :: 2.4930 HE1 :: 2.0300 HE2 :: 2.0300 HE3 :: 2.0300 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 :: 128.7371 Ave N Shift Values>> N :: 120.09(3.57) 2.5CM6 Overall Status: Residue type 5CM not supported. 2.DG1 Overall Status: Residue type DG not supported. 2.DG2 Overall Status: Residue type DG not supported. 2.DA3 Overall Status: Residue type DA not supported. 2.DA4 Overall Status: Residue type DA not supported. 2.DT5 Overall Status: Residue type DT not supported. 2.DG7 Overall Status: Residue type DG not supported. 2.DG8 Overall Status: Residue type DG not supported. 2.DC9 Overall Status: Residue type DC not supported. 2.THY10 Overall Status: Residue type THY not supported. 2.DC11 Overall Status: Residue type DC not supported. 3.5CM5 Overall Status: Residue type 5CM not supported. 3.DG1 Overall Status: Residue type DG not supported. 3.DA2 Overall Status: Residue type DA not supported. 3.DG3 Overall Status: Residue type DG not supported. 3.DC4 Overall Status: Residue type DC not supported. 3.DG6 Overall Status: Residue type DG not supported. 3.DA7 Overall Status: Residue type DA not supported. 3.DT8 Overall Status: Residue type DT not supported. 3.THY9 Overall Status: Residue type THY not supported. 3.DC10 Overall Status: Residue type DC not supported. 3.DC11 Overall Status: Residue type DC not supported. 4.MN1 Overall Status: Residue type MN not supported. ########################################################################### Overall Results: #Consistent: 65 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 69 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 2 C Shift Results: #Consistent: 304 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 469 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 70 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L13 HG = 0.3902(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9048e-04 1.L13 HD11 = -0.2333(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.4511e-04 1.L13 HD12 = -0.2333(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.4511e-04 1.L13 HD13 = -0.2333(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.4511e-04 1.L13 HD21 = -0.2333(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.9463e-04 1.L13 HD22 = -0.2333(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.9463e-04 1.L13 HD23 = -0.2333(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.9463e-04 1.E20 Typing: Suspicious 1.E20 CB = 36.1539(S), Expected = 30.01, Std = 1.7200, ChiSquare = 3.5422e-04 1.E20 CG = 30.3733(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.4301e-06 1.E20 SRO Rule Break>> CG > CB : 0.99165623696287 1.R24 HE = 9.713(S), Expected = 7.40, Std = 0.6300, ChiSquare = 2.4120e-04 1.S39 HA = 2.0050(S), Expected = 4.48, Std = 0.4000, ChiSquare = 6.1126e-10 1.P40 HD2 = 1.6337(S), Expected = 3.65, Std = 0.3500, ChiSquare = 8.3688e-09 1.P40 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P40 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.K44 HE2 = 2.1607(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.4336e-05 1.L51 Typing: Mistyped 1.L51 CG = 31.3163(S), Expected = 26.78, Std = 1.1000, ChiSquare = 3.7250e-05 1.L51 HG = 0.1590(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.2411e-05