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.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 K 0.23 Q 0.19 R 0.11 H 0.11 E 0.04 V 0.01 C Shift Assignments>> C :: 176.431403276712 CA :: 55.7872247933135 CB :: 32.9207017353573 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 :: 8.47799035324715 HA :: 4.48033473287115 HB2 :: 2.05448920254434 HB3 :: 2.01593214425225 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 :: 121.953724060208 Ave N Shift Values>> N :: 120.09(3.57) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.121016792327 CA :: 58.7696648142793 CB :: 63.8106715434558 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.47718842429494 HA :: 4.45385392465012 HB2 :: 3.96113424202355 HB3 :: 3.96113424202355 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 :: 117.656663320243 Ave N Shift Values>> N :: 116.28(3.52) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.237281620701 CA :: 59.1935813941319 CB :: 63.5875121060098 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.50497825165791 HA :: 4.43743382459933 HB2 :: 3.95414309138532 HB3 :: 3.92096662598879 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 :: 118.184880439771 Ave N Shift Values>> N :: 116.28(3.52) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 Q 0.2 E 0.17 H 0.17 R 0.13 M 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 177.086984481681 CA :: 57.1525880710032 CB :: 29.0445537827155 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 :: 8.42393600558048 HA :: 4.23914414380323 HB2 :: 2.12365761550286 HB3 :: 2.04059541359077 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 :: 122.125530760338 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.2 H 0.2 Q 0.15 M 0.09 K 0.09 V 0.01 I 0.01 C Shift Assignments>> C :: 177.408579800038 CA :: 57.3627930037677 CB :: 30.4778434077837 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 :: 8.29579411345473 HA :: 4.2405549047832 HB2 :: 1.85140924730057 HB3 :: 1.85140924730057 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 :: 121.583291238431 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.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 Q 0.19 E 0.18 H 0.17 R 0.14 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 177.215527630966 CA :: 57.232680557304 CB :: 29.1072245923956 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 :: 8.38913542622124 HA :: 4.23474627602263 HB2 :: 2.08969273114502 HB3 :: 2.08969273114502 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 :: 121.129093537184 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 H 0.18 R 0.17 Q 0.17 K 0.14 M 0.06 I 0.03 V 0.01 HN Overlap>> 1.Q26 1.Q26 C Shift Assignments>> C :: 177.413574192207 CA :: 57.7746781669647 CB :: 29.8497022564472 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 :: 8.45903436597186 HA :: 4.16677946018975 HB2 :: 2.04838479536923 HB3 :: 2.02959320723139 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 :: 121.692879699669 Ave N Shift Values>> N :: 120.67(3.48) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 179.043392876739 CA :: 53.9930435623623 CB :: 18.6749744875081 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.22153109741741 HA :: 4.19737117073341 HB1 :: 1.44485331875676 HB2 :: 1.44485331875676 HB3 :: 1.44485331875676 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.909910803719 Ave N Shift Values>> N :: 123.23(3.54) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.2 H 0.19 Q 0.15 K 0.09 M 0.08 V 0.02 I 0.02 C Shift Assignments>> C :: 177.433510920659 CA :: 57.7240966226955 CB :: 30.361768921804 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 :: 8.11227319166966 HA :: 4.17589010205465 HB2 :: 1.85874241346016 HB3 :: 1.85874241346016 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 :: 119.305370386092 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.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 M 0.19 Q 0.15 R 0.12 H 0.1 V 0.08 E 0.07 C Shift Assignments>> C :: 177.929517462856 CA :: 58.0345116399239 CB :: 32.7790720825003 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 :: 8.11313516431148 HA :: 4.1613937034515 HB2 :: 1.85491076883006 HB3 :: 1.85491076883006 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 :: 121.112096063366 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 E 0.2 H 0.19 Q 0.14 M 0.1 K 0.1 V 0.02 I 0.01 C Shift Assignments>> C :: 177.431571809826 CA :: 57.5885483588208 CB :: 30.6198189655826 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 :: 8.14982064039172 HA :: 4.22548396491867 HB2 :: 1.85975152222947 HB3 :: 1.85975152222947 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 :: 120.908184540707 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.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.32 R 0.19 Y 0.11 N 0.01 I 0.01 HN Overlap>> 1.A18 1.A22 1.A18 1.A22 C Shift Assignments>> C :: 178.236501480448 CA :: 56.3546516958387 CB :: 42.1947950001822 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 :: 8.10599111261898 HA :: 4.27686303455666 HB2 :: 1.70593071546679 HB3 :: 1.66963206418632 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 :: 122.558526734856 Ave N Shift Values>> N :: 121.86(3.9) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.24 Q 0.15 R 0.13 H 0.12 E 0.06 V 0.02 C Shift Assignments>> C :: 176.951865645113 CA :: 56.3545960855088 CB :: 32.6666824516879 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 :: 8.24313650317688 HA :: 4.37523596093449 HB2 :: 2.08069380192772 HB3 :: 2.08069380192772 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 :: 119.927234425966 Ave N Shift Values>> N :: 120.09(3.57) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 178.269127217539 CA :: 53.2240918936403 CB :: 18.8462648460858 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.10509273247287 HA :: 4.2384132772302 HB1 :: 1.42506090316819 HB2 :: 1.42506090316819 HB3 :: 1.42506090316819 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.019057404555 Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 178.516359334465 CA :: 53.1183834641155 CB :: 18.9315514973384 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.07203657159738 HA :: 4.26490859628358 HB1 :: 1.43181989960674 HB2 :: 1.43181989960674 HB3 :: 1.43181989960674 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.665541556514 Ave N Shift Values>> N :: 123.23(3.54) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 M 0.22 Q 0.17 R 0.12 H 0.11 E 0.06 V 0.04 C Shift Assignments>> C :: 177.249332795234 CA :: 57.0839039871748 CB :: 32.8319219117175 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 :: 8.14403884560399 HA :: 4.2423242273662 HB2 :: 1.82167283170126 HB3 :: 1.82167283170126 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 :: 120.119905359758 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 H 0.2 E 0.18 Q 0.14 M 0.12 K 0.11 V 0.01 C Shift Assignments>> C :: 176.567010703162 CA :: 56.8863683605909 CB :: 30.7853462081954 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 :: 8.20743701304275 HA :: 4.27008353027205 HB2 :: 1.83782648210894 HB3 :: 1.82813789488995 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 :: 121.760761465761 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.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 177.791161764517 CA :: 52.9676385894236 CB :: 19.1067717135248 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.24263186278578 HA :: 4.27205628016009 HB1 :: 1.41456451768671 HB2 :: 1.41456451768671 HB3 :: 1.41456451768671 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.73966085901 Ave N Shift Values>> N :: 123.23(3.54) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 178.014469940724 CA :: 52.9026100931739 CB :: 19.1694431279954 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16981905595459 HA :: 4.30260818025943 HB1 :: 1.42131804353816 HB2 :: 1.42131804353816 HB3 :: 1.42131804353816 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.51578510393 Ave N Shift Values>> N :: 123.23(3.54) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.686027283113 CA :: 58.5949988576885 CB :: 63.8577333235136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.14073447186174 HA :: 4.44880109437194 HB2 :: 3.90047075322569 HB3 :: 3.90047075322569 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 :: 114.575088712559 Ave N Shift Values>> N :: 116.28(3.52) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 P 0.38 K 0.02 R 0.01 C Shift Assignments>> C :: 176.213020095094 CA :: 62.5869261775181 CB :: 32.6607087313348 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 :: 8.02521597791696 HA :: 4.1468286478448 HB :: 2.11284632001558 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 :: 121.257304705343 Ave N Shift Values>> N :: 121.14(4.54) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 H 0.2 E 0.17 Q 0.14 M 0.13 K 0.11 V 0.01 C Shift Assignments>> C :: 176.275059204067 CA :: 56.2517553361454 CB :: 30.8080667568404 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 :: 8.31546842186001 HA :: 4.32261914725716 HB2 :: 1.79500121593162 HB3 :: 1.79500121593162 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.137008257634 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.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 H 0.19 K 0.17 E 0.17 R 0.16 M 0.06 I 0.01 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 175.781066681922 CA :: 56.0572669456893 CB :: 29.5284025553701 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 :: 8.44388179503996 HA :: 4.31579096444162 HB2 :: 2.1123206182383 HB3 :: 1.99251761625055 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 :: 121.750370632004 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 Y 0.13 L 0.09 M 0.01 C Shift Assignments>> C :: 175.238561331317 CA :: 53.4952287320986 CB :: 38.9309327622589 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 :: 8.52748264510624 HA :: 4.71122367477994 HB2 :: 2.87295362931374 HB3 :: 2.79777805577175 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 :: 119.924029468022 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.446169656852 CA :: 58.5964059547877 CB :: 63.9228155662093 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.30499494285981 HA :: 4.44464274534794 HB2 :: 3.89369137140596 HB3 :: 3.89369137140596 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 :: 116.063468258611 Ave N Shift Values>> N :: 116.28(3.52) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C Shift Assignments>> C :: 178.136432142075 CA :: 53.0198401422036 CB :: 19.2469964207329 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.41525273189985 HA :: 4.39500117618581 HB1 :: 1.43160501830978 HB2 :: 1.43160501830978 HB3 :: 1.43160501830978 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.725663100057 Ave N Shift Values>> N :: 123.23(3.54) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.775891413956 CA :: 62.1055331253112 CB :: 69.6950377399827 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 :: 8.03722042754836 HA :: 4.32000103839059 HB :: 4.23939977496435 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 :: 112.197775088575 Ave N Shift Values>> N :: 115.42(4.75) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.2 E 0.2 Q 0.16 M 0.09 K 0.09 I 0.01 V 0.01 C Shift Assignments>> C :: 176.45793764729 CA :: 56.8596657053806 CB :: 30.3437276362798 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 :: 8.30613901111875 HA :: 4.33398435658737 HB2 :: 2.07639240989572 HB3 :: 1.96148009033641 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 :: 123.000109575476 Ave N Shift Values>> N :: 120.67(3.48) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S35 1.S35 C Shift Assignments>> C :: 174.430877093679 CA :: 58.4209960174092 CB :: 63.9677752066242 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.32216510086172 HA :: 4.4438161813234 HB2 :: 3.88822335197007 HB3 :: 3.88822335197007 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 :: 116.717911172156 Ave N Shift Values>> N :: 116.28(3.52) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.812146241573 CA :: 52.9122971477888 CB :: 19.3437757589788 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.38923122374854 HA :: 4.33326198456038 HB1 :: 1.40575981577568 HB2 :: 1.40575981577568 HB3 :: 1.40575981577568 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.228220776736 Ave N Shift Values>> N :: 123.23(3.54) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.2 E 0.2 Q 0.16 M 0.09 K 0.09 I 0.01 V 0.01 C Shift Assignments>> C :: 176.562523548382 CA :: 56.8952200733834 CB :: 30.3383661864242 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 :: 8.34329839695903 HA :: 4.27552967745681 HB2 :: 2.06042401335435 HB3 :: 1.93817387858871 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.390478575533 Ave N Shift Values>> N :: 120.67(3.48) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S32 1.S32 C Shift Assignments>> C :: 174.410738879802 CA :: 58.3832181576297 CB :: 63.8653521950251 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.25705337230352 HA :: 4.48000392419582 HB2 :: 3.8627087093449 HB3 :: 3.8627087093449 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 :: 116.705792924844 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 Y 0.31 HN Overlap>> 1.I38 1.I38 C Shift Assignments>> C :: 175.99991003311 CA :: 61.2313141921453 CB :: 39.0302381234893 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 :: 8.08253032458363 HA :: 4.22267324456872 HB :: 1.87664967418766 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 :: 122.119517609417 Ave N Shift Values>> N :: 121.46(4.28) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.2 E 0.19 Q 0.16 M 0.1 K 0.08 V 0.01 C Shift Assignments>> C :: 175.944216300036 CA :: 56.4954557636444 CB :: 30.4255378997921 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 :: 8.37579761758803 HA :: 4.29937753697802 HB2 :: 1.91155339826751 HB3 :: 1.91155339826751 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 :: 124.732034674367 Ave N Shift Values>> N :: 120.67(3.48) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 Y 0.35 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> C :: 175.422524269272 CA :: 60.9206043065452 CB :: 39.0231581555843 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 :: 8.08065190647281 HA :: 4.14378642233311 HB :: 1.7833658602188 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 :: 122.068807429264 Ave N Shift Values>> N :: 121.46(4.28) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 I 0.2 L 0.08 N 0.05 E 0.03 M 0.01 C Shift Assignments>> C :: 174.69236288022 CA :: 57.6091727581341 CB :: 39.0245961010416 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 :: 8.31977353446362 HA :: 4.6168314071834 HB2 :: 2.93986605456673 HB3 :: 2.91416109720601 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 :: 125.574671612804 Ave N Shift Values>> N :: 120.52(4.2) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 I 0.23 L 0.06 N 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 173.839989134113 CA :: 57.9240809661055 CB :: 38.9425247734039 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 :: 8.03618854027135 HA :: 4.35264425630183 HB :: 1.75131425999454 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.194721163081 Ave N Shift Values>> N :: 121.46(4.28) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.48 V 0.46 I 0.01 C Shift Assignments>> C :: 177.012994507816 CA :: 63.1349746680401 CB :: 32.1294173437351 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 :: 4.23301171306554 HB2 :: 2.31164444799969 HB3 :: 1.89824785913219 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.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 H 0.19 R 0.19 Q 0.17 K 0.11 M 0.08 I 0.01 V 0.01 C Shift Assignments>> C :: 176.590096959582 CA :: 57.0550688847159 CB :: 30.0907574947224 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 :: 8.47566055372257 HA :: 4.17453081511487 HB2 :: 2.02136696645617 HB3 :: 1.98259992647297 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 :: 120.932300283276 Ave N Shift Values>> N :: 120.67(3.48) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 177.825327891482 CA :: 52.9076429186527 CB :: 19.2635524250313 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.31523001357583 HA :: 4.27634847509896 HB1 :: 1.3925335812982 HB2 :: 1.3925335812982 HB3 :: 1.3925335812982 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.595115156401 Ave N Shift Values>> N :: 123.23(3.54) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 H 0.19 K 0.16 E 0.16 R 0.16 M 0.06 I 0.01 C Shift Assignments>> C :: 176.180713615425 CA :: 55.9055462754397 CB :: 29.5356224127894 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 :: 8.31066441060673 HA :: 4.36947072634097 HB2 :: 2.1337447008118 HB3 :: 1.9901564961765 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.092902716367 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.168222774167 CA :: 62.331849776486 CB :: 69.7987262470233 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 :: 8.1449205727081 HA :: 4.2978381723971 HB :: 4.1748381712341 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.748396007231 Ave N Shift Values>> N :: 115.42(4.75) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 H 0.2 E 0.16 M 0.14 Q 0.14 K 0.11 C Shift Assignments>> C :: 175.034131926073 CA :: 55.9553336369662 CB :: 30.8666310097531 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 :: 8.30677006313188 HA :: 4.39743617595261 HB2 :: 1.8841222137562 HB3 :: 1.75665122584905 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.354152228261 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.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 L 0.32 K 0.08 Y 0.06 G 0.06 C Shift Assignments>> CA :: 56.9304054682856 CB :: 43.3965316491228 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 :: 7.94592263469965 HA :: 4.24160905723693 HB2 :: 1.57532972267499 HB3 :: 1.57532972267499 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 :: 129.859886380804 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 47 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 44 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 47 #Suspicious: 0 C Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 43 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0