Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.14 L 0.13 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 A 0.05 C 0.05 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 55.05059448 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.92 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 173.2359968 CA :: 51.79999773 CB :: 19.8477674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.103412321 HB1 :: 1.481199899 HB2 :: 1.481199899 HB3 :: 1.481199899 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.32 R 0.25 G 0.02 C Shift Assignments>> C :: 175.1385892 CA :: 55.05488462 CB :: 32.24244275 CG :: 28.90837545 CD :: 42.77068422 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 :: 8.693624258 HA :: 4.328578105 HB2 :: 1.788550178 HB3 :: 1.788550178 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.1805704 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.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.19 F 0.18 Y 0.14 K 0.11 C 0.08 N 0.04 I 0.01 C Shift Assignments>> C :: 172.4556315 CA :: 56.11946938 CB :: 40.86970364 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 :: 8.545614847 HA :: 4.867677564 HB2 :: 2.900153191 HB3 :: 2.900153191 HD1 :: 6.844062294 HD2 :: 6.844062294 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 :: 121.1620083 Ave N Shift Values>> N :: 120.45(4.18) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 C Shift Assignments>> C :: 175.302889 CA :: 59.1074186 CB :: 35.05853352 CG1 :: 20.56514788 CG2 :: 20.43538065 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 :: 8.213084133 HA :: 4.8935796 HB :: 1.694184461 HG11 :: 0.6689002096 HG12 :: 0.6689002096 HG13 :: 0.6689002096 HG21 :: 0.6688484916 HG22 :: 0.6688484916 HG23 :: 0.6688484916 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.9296724 Ave N Shift Values>> N :: 121.14(4.54) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.18 K 0.11 R 0.1 E 0.08 H 0.08 M 0.07 Q 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 177.3803924 CA :: 59.88918504 CB :: 31.79801935 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.99041239 HA :: 4.258367599 HB2 :: 3.17153399 HB3 :: 3.051750155 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.9303386 Ave N Shift Values>> N :: 120.17(4.64) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.18 L 0.17 Y 0.16 C 0.08 K 0.06 N 0.06 I 0.01 C Shift Assignments>> C :: 175.8256809 CA :: 55.93042359 CB :: 40.57021606 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 :: 8.761391943 HA :: 4.296564321 HB2 :: 2.492000995 HB3 :: 2.629698644 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 :: 128.5510536 Ave N Shift Values>> N :: 120.65(3.86) 1.S8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.760259 CA :: 59.74177998 CB :: 62.46806982 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.645408027 HA :: 4.28530124 HB2 :: 3.777662733 HB3 :: 2.866908406(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.2442719 Ave N Shift Values>> N :: 116.28(3.52) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.16 V 0.14 M 0.1 R 0.1 H 0.08 E 0.06 Q 0.06 C Shift Assignments>> C :: 176.6378596 CA :: 59.19127152 CB :: 32.4427994 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.76730294 HA :: 4.844028791 HB2 :: 3.15695484 HB3 :: 2.538496717 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 :: 120.0299521 Ave N Shift Values>> N :: 120.17(4.64) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.33 K 0.16 R 0.06 G 0.02 C Shift Assignments>> C :: 175.0460762 CA :: 57.70075509 CB :: 25.94178664 CG :: 27.09256329 CD :: 42.5860781 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 :: 7.801510924 HA :: 4.031331495 HB2 :: 1.930020198 HB3 :: 2.144501187 HG2 :: 1.369300096 HG3 :: 1.469867915 HD2 :: 3.015844336 HD3 :: 3.041845138 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 :: 116.5776228 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.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.06 L 0.05 C 0.04 C Shift Assignments>> C :: 175.5234495 CA :: 53.56719611 CB :: 20.28638604 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.660614815 HA :: 4.011580136 HB1 :: 1.2116544 HB2 :: 1.2116544 HB3 :: 1.2116544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8954455 Ave N Shift Values>> N :: 123.23(3.54) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.29 C 0.23 K 0.09 E 0.06 C Shift Assignments>> C :: 175.0549263 CA :: 54.54766555 CB :: 30.83911385 CG :: 33.83805365 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 :: 7.870872037 HA :: 4.670020586 HB2 :: 1.671501948 HB3 :: 1.812647521 HG2 :: 2.145595312 HG3 :: 2.175175246 HE21 :: 6.952961926 HE22 :: 7.10654795 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 :: 118.2322455 NE2 :: 111.9813458 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.24 K 0.17 F 0.1 D 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 173.8687722 CA :: 56.66365651 CB :: 42.69015845 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 :: 8.441655781 HA :: 4.527957389 HB2 :: 2.5601 HB3 :: 2.090573363 HD1 :: 6.704555556 HD2 :: 6.704555556 HE1 :: 6.622555556 HE2 :: 6.622555556 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.0638001 Ave N Shift Values>> N :: 120.52(4.2) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.29 Q 0.14 E 0.14 K 0.01 C Shift Assignments>> C :: 175.2937413 CA :: 54.61816416 CB :: 34.84254358 CG :: 31.89015943 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 :: 8.252490949 HA :: 5.181967795 HB2 :: 1.844239469 HB3 :: 1.909885481 HG2 :: 2.381173446 HG3 :: 2.41722194 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 :: 119.4363202 Ave N Shift Values>> N :: 120.09(3.57) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 HN Overlap>> 1.S16 1.S16 C Shift Assignments>> C :: 173.5807951 CA :: 60.10209413 CB :: 41.86781638 CG1 :: 27.65167861 CG2 :: 16.5141631 CD1 :: 13.71380182 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 :: 8.541337861 HA :: 4.442595856 HB :: 1.747547958 HG12 :: 1.18298256 HG13 :: 1.18298256 HG21 :: 0.8170383696 HG22 :: 0.8170383696 HG23 :: 0.8170383696 HD11 :: 0.678959626 HD12 :: 0.678959626 HD13 :: 0.678959626 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 :: 122.3078562 Ave N Shift Values>> N :: 121.46(4.28) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I15 1.I15 C Shift Assignments>> C :: 175.912168 CA :: 59.14575307 CB :: 63.30279919 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.568122461 HA :: 4.24681972 HB2 :: 3.834045236 HB3 :: 3.911215459 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 :: 122.3404778 Ave N Shift Values>> N :: 116.28(3.52) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.11 L 0.11 D 0.1 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 177.669525 CA :: 57.42603023 CB :: 40.30754165 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 :: 8.654892399 HA :: 4.258531176 HB2 :: 2.592529219 HB3 :: 2.495609241 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 :: 124.5908073 Ave N Shift Values>> N :: 120.65(3.86) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 N 0.2 F 0.16 Y 0.16 L 0.1 C 0.1 I 0.01 C Shift Assignments>> C :: 176.8879543 CA :: 55.1330063 CB :: 39.52675837 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 :: 8.316235318 HA :: 4.259443822 HB2 :: 2.566301614 HB3 :: 2.566301614 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.6164109 Ave N Shift Values>> N :: 120.65(3.86) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.34 R 0.18 C Shift Assignments>> C :: 176.1240403 CA :: 55.65879634 CB :: 32.23406137 CG :: 25.01171505 CD :: 28.80520734 CE :: 42.09666536 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 :: 7.654633554 HA :: 4.166346363 HB2 :: 1.857523729 HB3 :: 1.857523729 HG2 :: 1.330189505 HG3 :: 1.380250807 HD2 :: 1.765222854 HD3 :: 1.765222854 HE2 :: 2.895596814 HE3 :: 2.895596814 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9807267 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.5622438 CA :: 62.00272229 CB :: 38.0008123 CG1 :: 27.28305892 CG2 :: 17.41212964 CD1 :: 13.89454051 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 :: 7.233463275 HA :: 3.702948948 HB :: 1.804381521 HG12 :: 1.522666881 HG13 :: 1.522666881 HG21 :: 0.7646036498 HG22 :: 0.7646036498 HG23 :: 0.7646036498 HD11 :: 0.6659124528 HD12 :: 0.6659124528 HD13 :: 0.6659124528 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.0602923 Ave N Shift Values>> N :: 121.46(4.28) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.9860638 CA :: 44.75567503 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.505841474 HA2 :: 4.08020346 HA3 :: 3.954342505 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6241383 Ave N Shift Values>> N :: 109.67(3.87) 1.P22 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 :: 177.9901718 CA :: 64.57114761 CB :: 32.28293079 CG :: 27.22581858 CD :: 49.53451936 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 :: 4.249154184 HB2 :: 2.299035223 HB3 :: 1.895445855 HG2 :: 1.933968906 HG3 :: 1.992386629 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.33 R 0.18 G 0.01 C Shift Assignments>> C :: 177.3568381 CA :: 55.49469514 CB :: 32.68335078 CG :: 24.86163711 CD :: 28.78516782 CE :: 42.30366601 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 :: 8.389562807 HA :: 4.246441169 HB2 :: 1.822239865 HB3 :: 1.822239865 HG2 :: 1.316609445 HG3 :: 1.316609445 HD2 :: 1.610249319 HD3 :: 1.610249319 HE2 :: 2.835168168 HE3 :: 2.835168168 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 :: 115.7906824 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.4168302 CA :: 44.60916028 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.711712796 HA2 :: 3.811900049 HA3 :: 4.021283423 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8988478 Ave N Shift Values>> N :: 109.67(3.87) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 172.9763807 CA :: 60.08592161 CB :: 35.19216357 CG1 :: 20.915 CG2 :: 20.69347501 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 :: 8.268929602 HA :: 4.411968012 HB :: 1.909747097 HG11 :: 0.7008914495 HG12 :: 0.7008914495 HG13 :: 0.7008914495 HG21 :: 0.6840686534 HG22 :: 0.6840686534 HG23 :: 0.6840686534 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 :: 116.0018732 Ave N Shift Values>> N :: 121.14(4.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.33 R 0.11 C Shift Assignments>> C :: 176.257109 CA :: 54.85561656 CB :: 33.39959102 CG :: 25.11638485 CD :: 29.29579118 CE :: 42.04866702 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 :: 8.108299588 HA :: 5.034499834 HB2 :: 1.528982375 HB3 :: 1.528982375 HG2 :: 1.27839282 HG3 :: 1.171261601 HD2 :: 1.43554276 HD3 :: 1.43195675 HE2 :: 2.770062743 HE3 :: 2.770062743 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 :: 124.4405706 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 173.7909498 CA :: 59.99198884 CB :: 35.11317834 CG1 :: 20.54323078 CG2 :: 20.2967142 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 :: 8.914907255 HA :: 4.144041821 HB :: 1.624513084 HG11 :: 0.5461610351 HG12 :: 0.5461610351 HG13 :: 0.5461610351 HG21 :: 0.4653640597 HG22 :: 0.4653640597 HG23 :: 0.4653640597 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.3832877 Ave N Shift Values>> N :: 121.14(4.54) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.31 G 0.08 K 0.05 C Shift Assignments>> C :: 175.9069503 CA :: 54.83833779 CB :: 30.67998927 CG :: 27.33766605 CD :: 43.4100114 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 :: 8.382994049 HA :: 4.476021278 HB2 :: 1.47307447 HB3 :: 1.47307447 HG2 :: 1.251393433 HG3 :: 1.353083035 HD2 :: 3.001472523 HD3 :: 3.001472523 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 :: 125.4441228 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.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.12 E 0.12 R 0.12 H 0.09 K 0.06 Q 0.06 I 0.05 M 0.04 P 0.02 C Shift Assignments>> C :: 177.7716066 CA :: 60.07612823 CB :: 30.7605519 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.298728566 HA :: 3.931595658 HB2 :: 3.230330802 HB3 :: 3.230330802 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 :: 129.7867546 Ave N Shift Values>> N :: 120.17(4.64) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 C Shift Assignments>> C :: 176.0795956 CA :: 58.14866814 CB :: 32.59716343 CG :: 24.76081695 CD :: 29.04098912 CE :: 42.18326443 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 :: 8.021218203 HA :: 4.001237955 HB2 :: 1.853460073 HB3 :: 1.85254475 HG2 :: 1.448311982 HG3 :: 1.448311982 HD2 :: 1.637354098 HD3 :: 1.637354098 HE2 :: 2.893412696 HE3 :: 2.893412696 HZ1 :: 6.722124732(U) HZ2 :: 6.722124732(U) HZ3 :: 6.722124732(U) 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 :: 130.7037243 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.14 C Shift Assignments>> C :: 177.6788654 CA :: 58.01176116 CB :: 32.8678137 CG :: 24.96348073 CD :: 28.79535953 CE :: 42.20224759 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 :: 8.766897264 HA :: 4.289881434 HB2 :: 2.080766064 HB3 :: 2.080766064 HG2 :: 1.305766487 HG3 :: 1.305766487 HD2 :: 1.696255585 HD3 :: 1.696255585 HE2 :: 2.84791378 HE3 :: 2.84791378 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 :: 122.3290771 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.18 M 0.13 Q 0.12 V 0.09 R 0.08 H 0.07 E 0.04 C Shift Assignments>> C :: 177.0807462 CA :: 58.51449562 CB :: 32.98419498 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.651837402 HA :: 4.984380913 HB2 :: 3.240973254 HB3 :: 2.485293506 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 :: 119.2090446 Ave N Shift Values>> N :: 120.17(4.64) 1.G33 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 :: 173.2071108 CA :: 46.04204288 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.790552714 HA2 :: 3.833978907 HA3 :: 3.995756037 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.211487 Ave N Shift Values>> N :: 109.67(3.87) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.19 M 0.16 R 0.11 Q 0.1 H 0.09 E 0.06 V 0.04 C Shift Assignments>> C :: 174.5650936 CA :: 57.4769602 CB :: 32.58608709 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 :: 8.8240643 HA :: 4.432543046 HB2 :: 3.142758324 HB3 :: 3.142758324 HD2 :: 7.105629659 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 :: 124.5540324 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.8484197 CA :: 63.4251545 CB :: 68.52880223 CG2 :: 20.44270265 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.694211007 HA :: 4.29803405 HB :: 3.743997996 HG21 :: 0.8367904009 HG22 :: 0.8367904009 HG23 :: 0.8367904009 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 :: 121.6705134 Ave N Shift Values>> N :: 115.42(4.75) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 175.3958466 CA :: 60.47469548 CB :: 40.92460792 CG1 :: 28.40491983 CG2 :: 18.24396811 CD1 :: 14.63871579 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.009962613 HA :: 4.061426285 HB :: 1.633717232 HG12 :: 1.213764562 HG13 :: 1.213764562 HG21 :: 0.8431195885 HG22 :: 0.8431195885 HG23 :: 0.8431195885 HD11 :: 0.7822241412 HD12 :: 0.7822241412 HD13 :: 0.7822241412 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 :: 129.8362381 Ave N Shift Values>> N :: 121.46(4.28) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.4825613 CA :: 62.62191372 CB :: 68.75929533 CG2 :: 20.92274122 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 :: 8.615081485 HA :: 4.425800107 HB :: 3.884440523 HG21 :: 0.8873865321 HG22 :: 0.8873865321 HG23 :: 0.8873865321 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.6421722 Ave N Shift Values>> N :: 115.42(4.75) 1.V38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.6852803 CA :: 61.77490157 CB :: 31.69658472 CG1 :: 20.7698606 CG2 :: 20.69993748 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 :: 8.838902396 HA :: 3.729818522 HB :: 1.587699437 HG11 :: 0.4195125393 HG12 :: 0.4195125393 HG13 :: 0.4195125393 HG21 :: -0.1502139902(S) HG22 :: -0.1502139902(S) HG23 :: -0.1502139902(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.3516812 Ave N Shift Values>> N :: 121.14(4.54) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 C 0.27 G 0.1 K 0.04 C Shift Assignments>> C :: 173.2254851 CA :: 53.54267876 CB :: 30.25886689 CG :: 27.55996938 CD :: 43.32992951 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 :: 8.252577064 HA :: 4.450858584 HB2 :: 1.709381186 HB3 :: 1.709381186 HG2 :: 1.469284806 HG3 :: 1.491523506 HD2 :: 3.026197364 HD3 :: 3.026197364 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 :: 125.7190824 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.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.3879645 CA :: 62.67701724 CB :: 31.83644818 CG :: 27.35587005 CD :: 50.12678487 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 :: 4.242510045 HB2 :: 2.13397214 HB3 :: 2.13397214 HG2 :: 1.827486311 HG3 :: 1.837518698 HD2 :: 3.334368279 HD3 :: 3.43519218 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.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 178.452367 CA :: 52.70267158 CB :: 18.84823018 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.434590777 HA :: 4.141046075 HB1 :: 1.284869009 HB2 :: 1.284869009 HB3 :: 1.284869009 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.285621 Ave N Shift Values>> N :: 123.23(3.54) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.9627259 CA :: 45.06882716 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.362303317 HA2 :: 3.789042583 HA3 :: 3.789042583 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2720699 Ave N Shift Values>> N :: 109.67(3.87) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.6696182 CA :: 52.41964502 CB :: 19.1816863 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.948266131 HA :: 4.164334193 HB1 :: 1.255049199 HB2 :: 1.255049199 HB3 :: 1.255049199 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.382974 Ave N Shift Values>> N :: 123.23(3.54) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 A 0.03 R 0.03 G 0.01 C Shift Assignments>> C :: 177.3443814 CA :: 54.99776862 CB :: 42.15286598 CG :: 27.04158806 CD1 :: 24.86829778 CD2 :: 23.18399372 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 :: 8.162055511 HA :: 4.188311162 HB2 :: 1.50239243 HB3 :: 1.50239243 HG :: 1.363178449 HD11 :: 0.7967196314 HD12 :: 0.7967196314 HD13 :: 0.7967196314 HD21 :: 0.7413795656 HD22 :: 0.7413795656 HD23 :: 0.7413795656 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9641241 Ave N Shift Values>> N :: 121.86(3.9) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.08 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.0362367 CA :: 56.56226387 CB :: 30.08272139 CG :: 36.34294468 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 :: 8.22974143 HA :: 4.052953665 HB2 :: 1.745104223 HB3 :: 1.817653504 HG2 :: 2.019484898 HG3 :: 2.103354537 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 :: 121.1011151 Ave N Shift Values>> N :: 120.67(3.48) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 42 #Clerical: 1 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 45 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 45 #Suspicious: 0 C Shift Results: #Consistent: 181 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 284 #Duplicate: 0 #Unknown: 3 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 42 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S8 HB3 = 2.866908406(S), Expected = 3.85, Std = 0.2700, ChiSquare = 2.7150e-04 1.K30 HZ1 = 6.722124732(U) 1.K30 HZ2 = 6.722124732(U) 1.K30 HZ3 = 6.722124732(U) 1.V38 HG21 = -0.1502139902(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8975e-04 1.V38 HG22 = -0.1502139902(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8975e-04 1.V38 HG23 = -0.1502139902(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8975e-04