Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 175.78114 CA :: 56.47113 CB :: 33.05147 CG :: 24.65333 CD :: 29.03953 CE :: 42.1156 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 :: 4.27576 HB2 :: 1.66655 HB3 :: 1.72763 HG2 :: 1.32639 HG3 :: 1.35792 HD2 :: 1.59776 HD3 :: 1.59776 HE2 :: 2.90822 HE3 :: 2.90822 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.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 C 0.09 Y 0.07 F 0.07 L 0.05 C Shift Assignments>> C :: 174.91629 CA :: 53.24656 CB :: 38.83164 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 :: 8.5293 HA :: 4.61246 HB2 :: 2.72654 HB3 :: 2.72654 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.48123 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.16 C 0.09 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 175.23551 CA :: 53.37979 CB :: 38.71416 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 :: 8.43747 HA :: 4.61747 HB2 :: 2.72512 HB3 :: 2.72512 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 :: 119.57457 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.05 R 0.03 C Shift Assignments>> C :: 176.46862 CA :: 56.12986 CB :: 29.31558 CG :: 33.83385 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 :: 8.30916 HA :: 4.23678 HB2 :: 1.91282 HB3 :: 2.06442 HG2 :: 2.26418 HG3 :: 2.26418 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.11055 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 0.85 L 0.08 C 0.02 HN Overlap>> 1.G10 1.G10 C Shift Assignments>> C :: 174.02399 CA :: 45.41135 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35239 HA2 :: 3.87635 HA3 :: 3.87635 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.54777 Ave N Shift Values>> N :: 109.67(3.87) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.99698 CA :: 53.22456 CB :: 38.90328 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 :: 8.28728 HA :: 4.65629 HB2 :: 2.74146 HB3 :: 2.74146 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 :: 118.59366 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G8 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 :: 174.29392 CA :: 45.54788 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.42269 HA2 :: 3.87667 HA3 :: 3.87667 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3022 Ave N Shift Values>> N :: 109.67(3.87) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.07 M 0.05 R 0.03 C Shift Assignments>> C :: 176.45544 CA :: 55.94393 CB :: 29.3065 CG :: 33.81105 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 :: 8.17054 HA :: 4.24217 HB2 :: 1.88158 HB3 :: 2.04371 HG2 :: 2.25472 HG3 :: 2.27184 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 :: 119.43358 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G6 1.G6 C Shift Assignments>> C :: 173.89418 CA :: 45.30753 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.37732 HA2 :: 3.81556 HA3 :: 3.81556 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.53337 Ave N Shift Values>> N :: 109.67(3.87) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.13 R 0.12 W 0.12 E 0.11 C 0.11 M 0.05 L 0.01 C Shift Assignments>> C :: 174.2941 CA :: 55.31753 CB :: 29.406 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 :: 8.23173 HA :: 4.62031 HB2 :: 3.01658 HB3 :: 3.15919 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 :: 118.17229 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.4563 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 :: 119.69106 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.54387 CA :: 63.31481 CB :: 31.97401 CG :: 27.32477 CD :: 50.59482 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 :: 4.30247 HB2 :: 1.81047 HB3 :: 2.19947 HG2 :: 1.936 HG3 :: 1.936 HD2 :: 3.61273 HD3 :: 3.73549 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.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.09 F 0.07 Y 0.07 L 0.04 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 174.43673 CA :: 53.08423 CB :: 38.8221 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 :: 8.39193 HA :: 4.53525 HB2 :: 2.65798 HB3 :: 2.65798 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 :: 118.14693 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.17 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 175.05368 CA :: 51.86349 CB :: 41.56912 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 :: 8.06389 HA :: 4.76888 HB2 :: 2.49576 HB3 :: 2.68953 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 :: 121.88922 Ave N Shift Values>> N :: 120.65(3.86) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.0225 CA :: 63.70393 CB :: 32.10452 CG :: 26.86812 CD :: 50.81984 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 :: 4.32622 HB2 :: 1.8588 HB3 :: 2.19678 HG2 :: 1.86384 HG3 :: 1.93646 HD2 :: 3.76029 HD3 :: 3.76029 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.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 C Shift Assignments>> C :: 175.13212 CA :: 53.47438 CB :: 38.72247 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 :: 8.4245 HA :: 4.58964 HB2 :: 2.66081 HB3 :: 2.7485 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.27321 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.06 K 0.05 HN Overlap>> 1.V105 1.F117 1.V105 1.F117 C Shift Assignments>> C :: 175.69593 CA :: 56.1917 CB :: 30.72088 CG :: 26.95694 CD :: 43.2891 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 :: 7.77953 HA :: 4.19593 HB2 :: 1.67623 HB3 :: 1.7776 HG2 :: 1.50481 HG3 :: 1.50481 HD2 :: 3.11717 HD3 :: 3.11717 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 :: 120.61386 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.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.05 C Shift Assignments>> C :: 175.21506 CA :: 53.324 CB :: 38.81767 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 :: 8.38747 HA :: 4.63598 HB2 :: 2.64498 HB3 :: 2.74126 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.37948 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.71889 CA :: 62.4166 CB :: 32.67456 CG1 :: 21.07589 CG2 :: 20.20084 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 :: 8.01781 HA :: 4.0005 HB :: 2.00648 HG11 :: 0.81864 HG12 :: 0.81864 HG13 :: 0.81864 HG21 :: 0.82322 HG22 :: 0.82322 HG23 :: 0.82322 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.11753 Ave N Shift Values>> N :: 121.14(4.54) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> C :: 176.56853 CA :: 54.2142 CB :: 41.1208 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 :: 8.27036 HA :: 4.52878 HB2 :: 2.52364 HB3 :: 2.65964 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 :: 123.45178 Ave N Shift Values>> N :: 120.65(3.86) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 K 0.09 Q 0.08 M 0.06 I 0.04 HN Overlap>> 1.N110 1.N110 C Shift Assignments>> C :: 176.62926 CA :: 57.27284 CB :: 29.88851 CG :: 36.04857 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 :: 8.40821 HA :: 4.11585 HB2 :: 1.86422 HB3 :: 1.97129 HG2 :: 2.15383 HG3 :: 2.18502 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.40573 Ave N Shift Values>> N :: 120.67(3.48) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.37013 CA :: 53.50524 CB :: 38.81037 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 :: 8.36544 HA :: 4.58856 HB2 :: 2.67634 HB3 :: 2.76125 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 :: 118.68661 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.01 HN Overlap>> 1.A27 1.A27 C Shift Assignments>> C :: 177.79614 CA :: 53.22846 CB :: 18.94015 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0173 HA :: 4.15679 HB1 :: 1.30747 HB2 :: 1.30747 HB3 :: 1.30747 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.89639 Ave N Shift Values>> N :: 123.23(3.54) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 HN Overlap>> 1.S111 1.S111 C Shift Assignments>> C :: 175.36733 CA :: 53.27285 CB :: 38.77783 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 :: 8.23694 HA :: 4.57588 HB2 :: 2.67069 HB3 :: 2.76985 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.87826 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 HN Overlap>> 1.A25 1.A25 C Shift Assignments>> C :: 177.78461 CA :: 53.17871 CB :: 18.99098 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.04188 HA :: 4.17205 HB1 :: 1.31069 HB2 :: 1.31069 HB3 :: 1.31069 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.90013 Ave N Shift Values>> N :: 123.23(3.54) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.04 C Shift Assignments>> C :: 175.47309 CA :: 53.44746 CB :: 38.76205 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 :: 8.27184 HA :: 4.6205 HB2 :: 2.68572 HB3 :: 2.77398 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.02506 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 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 :: 174.32699 CA :: 58.74798 CB :: 63.73826 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.04351 HA :: 4.29286 HB2 :: 3.77609 HB3 :: 3.83477 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 :: 115.86051 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>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 177.74218 CA :: 52.71344 CB :: 19.15169 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16578 HA :: 4.25378 HB1 :: 1.30492 HB2 :: 1.30492 HB3 :: 1.30492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.57829 Ave N Shift Values>> N :: 123.23(3.54) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.15345 CA :: 62.47062 CB :: 32.50708 CG1 :: 20.83321 CG2 :: 20.83321 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 :: 7.86475 HA :: 3.95578 HB :: 1.96766 HG11 :: 0.81933 HG12 :: 0.81933 HG13 :: 0.81933 HG21 :: 0.81933 HG22 :: 0.81933 HG23 :: 0.81933 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 :: 118.75439 Ave N Shift Values>> N :: 121.14(4.54) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.12 C Shift Assignments>> C :: 176.07626 CA :: 56.15124 CB :: 33.00382 CG :: 24.65161 CD :: 29.0343 CE :: 42.10822 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 :: 8.21069 HA :: 4.23301 HB2 :: 1.66653 HB3 :: 1.72764 HG2 :: 1.32629 HG3 :: 1.35791 HD2 :: 1.5977 HD3 :: 1.5977 HE2 :: 2.90815 HE3 :: 2.90815 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 :: 124.78833 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.81278 CA :: 53.18556 CB :: 38.97668 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 :: 8.34134 HA :: 4.60518 HB2 :: 2.67869 HB3 :: 2.67869 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 :: 119.93225 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.35856 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 :: 119.40517 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.72436 CA :: 62.63536 CB :: 31.80724 CG :: 27.50986 CD :: 50.24358 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 :: 4.23983 HB2 :: 1.59607 HB3 :: 1.77825 HG2 :: 1.55409 HG3 :: 1.74073 HD2 :: 3.41013 HD3 :: 3.41013 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.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.52681 CA :: 57.4345 CB :: 65.08064 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.43194 HA :: 4.33607 HB2 :: 3.98044 HB3 :: 4.23213 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 :: 117.8748 Ave N Shift Values>> N :: 116.28(3.52) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.13 D 0.1 C 0.1 K 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 178.02496 CA :: 57.49877 CB :: 40.74988 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 :: 8.68613 HA :: 4.35439 HB2 :: 2.54858 HB3 :: 2.61662 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 :: 120.85859 Ave N Shift Values>> N :: 120.65(3.86) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 177.9762 CA :: 59.6455 CB :: 32.59559 CG :: 24.69136 CD :: 29.44666 CE :: 42.04504 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 :: 8.05072 HA :: 3.8924 HB2 :: 1.65184 HB3 :: 1.76475 HG2 :: 1.24793 HG3 :: 1.36846 HD2 :: 1.56731 HD3 :: 1.59471 HE2 :: 2.9067 HE3 :: 2.9067 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.54165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 W 0.4 H 0.17 HN Overlap>> 1.Y116 1.Y116 C Shift Assignments>> C :: 178.11853 CA :: 59.2705 CB :: 28.67447 CD2 :: 124.71601 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 :: 7.89794 HA :: 4.15957 HB2 :: 3.169 HB3 :: 3.41461 HD2 :: 6.3929 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.35594 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.26656 CA :: 66.01325 CB :: 38.17616 CG1 :: 28.86725 CG2 :: 17.28579 CD1 :: 13.89152 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 :: 8.14992 HA :: 3.49518 HB :: 2.01346 HG12 :: 1.87823 HG13 :: 1.87823 HG21 :: 0.89345 HG22 :: 0.89345 HG23 :: 0.89345 HD11 :: 0.79573 HD12 :: 0.79573 HD13 :: 0.79573 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8262 Ave N Shift Values>> N :: 121.46(4.28) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.39 R 0.1 C Shift Assignments>> C :: 179.38053 CA :: 60.17426 CB :: 32.32486 CG :: 25.98879 CD :: 29.13211 CE :: 41.8358 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 :: 8.37319 HA :: 3.79101 HB2 :: 1.75427 HB3 :: 1.75427 HG2 :: 1.14617 HG3 :: 1.38067 HD2 :: 1.43442 HD3 :: 1.43442 HE2 :: 2.56851 HE3 :: 2.56851 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.23224 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 I 0.22 K 0.04 Q 0.01 HN Overlap>> 1.N114 1.N114 C Shift Assignments>> C :: 179.21892 CA :: 59.30826 CB :: 29.27816 CG :: 36.83052 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 :: 8.18469 HA :: 3.9663 HB2 :: 1.94768 HB3 :: 2.05651 HG2 :: 2.18813 HG3 :: 2.43684 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.74918 Ave N Shift Values>> N :: 120.67(3.48) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.21 Y 0.19 F 0.14 E 0.02 C Shift Assignments>> C :: 177.17371 CA :: 60.94116 CB :: 37.96973 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 :: 8.04033 HA :: 4.37142 HB2 :: 2.83563 HB3 :: 2.96544 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 :: 122.14378 Ave N Shift Values>> N :: 120.52(4.2) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.43 R 0.07 HN Overlap>> 1.N15 1.N15 C Shift Assignments>> C :: 178.56746 CA :: 57.90057 CB :: 41.6758 CG :: 27.47944 CD1 :: 25.90292 CD2 :: 24.9927 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 :: 8.44035 HA :: 3.55715 HB2 :: 1.20011 HB3 :: 1.70308 HG :: 1.63986 HD11 :: 0.69799 HD12 :: 0.69799 HD13 :: 0.69799 HD21 :: 0.70566 HD22 :: 0.70566 HD23 :: 0.70566 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 :: 118.23018 Ave N Shift Values>> N :: 121.86(3.9) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.15 N 0.14 D 0.11 L 0.05 I 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 177.50142 CA :: 55.98504 CB :: 38.72216 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.63417 HA :: 4.31998 HB2 :: 2.75448 HB3 :: 2.75448 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 :: 114.18944 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 179.2167 CA :: 59.20141 CB :: 32.78546 CG :: 25.0051 CD :: 29.55385 CE :: 42.16441 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 :: 7.72715 HA :: 4.02315 HB2 :: 1.94443 HB3 :: 1.94443 HG2 :: 1.32453 HG3 :: 1.51634 HD2 :: 1.69423 HD3 :: 1.69423 HE2 :: 2.95974 HE3 :: 2.95974 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 :: 120.38656 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 177.05037 CA :: 60.70972 CB :: 38.31894 CG1 :: 26.44652 CG2 :: 17.57398 CD1 :: 15.50859 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 :: 7.667 HA :: 4.44596 HB :: 1.85082 HG12 :: 0.60306 HG13 :: 0.77896 HG21 :: 0.40952 HG22 :: 0.40952 HG23 :: 0.40952 HD11 :: 0.46934 HD12 :: 0.46934 HD13 :: 0.46934 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 :: 111.18075 Ave N Shift Values>> N :: 121.46(4.28) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.26 Q 0.22 R 0.04 E 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 176.82509 CA :: 59.68925 CB :: 29.09076 CG :: 33.44861 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 :: 7.19941 HA :: 3.74554 HB2 :: 2.014 HB3 :: 2.22469 HG2 :: 2.15808 HG3 :: 2.28671 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 :: 121.87417 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.17 Y 0.16 F 0.13 D 0.09 E 0.05 L 0.03 M 0.02 I 0.02 HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 175.77872 CA :: 55.07372 CB :: 38.08481 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 :: 8.50177 HA :: 4.51614 HB2 :: 2.70058 HB3 :: 2.70058 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 :: 114.24531 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3011 CA :: 57.76029 CB :: 64.21193 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.23521 HA :: 4.54976 HB2 :: 3.73905 HB3 :: 3.85931 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 :: 113.77292 Ave N Shift Values>> N :: 116.28(3.52) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 G 0.05 R 0.04 C Shift Assignments>> C :: 175.51149 CA :: 56.11674 CB :: 43.08828 CG :: 26.55019 CD1 :: 25.01449 CD2 :: 24.49459 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 :: 7.23903 HA :: 4.04038 HB2 :: 1.40075 HB3 :: 1.50221 HG :: 1.58948 HD11 :: 0.66007 HD12 :: 0.66007 HD13 :: 0.66007 HD21 :: 0.75814 HD22 :: 0.75814 HD23 :: 0.75814 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.88085 Ave N Shift Values>> N :: 121.86(3.9) 1.S56 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 :: 173.47618 CA :: 57.20109 CB :: 65.75569 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.86418 HA :: 4.84539 HB2 :: 3.79796 HB3 :: 4.14011 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.31229 Ave N Shift Values>> N :: 116.28(3.52) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.8507 CA :: 62.63039 CB :: 68.5262 CG2 :: 21.82204 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 :: 7.8513 HA :: 4.39524 HB :: 4.34539 HG21 :: 1.03698 HG22 :: 1.03698 HG23 :: 1.03698 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 :: 108.36314 Ave N Shift Values>> N :: 115.42(4.75) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.3 M 0.22 Q 0.08 K 0.04 C Shift Assignments>> C :: 175.25754 CA :: 54.30162 CB :: 30.76515 CG :: 35.8911 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 :: 8.19842 HA :: 4.31104 HB2 :: 1.66311 HB3 :: 1.93469 HG2 :: 2.12819 HG3 :: 2.23278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.46914 Ave N Shift Values>> N :: 120.67(3.48) 1.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.36 H 0.25 C Shift Assignments>> C :: 177.80779 CA :: 58.46312 CB :: 29.86378 CD1 :: 128.03216 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.02968 HA :: 4.2382 HB2 :: 2.9037 HB3 :: 3.12912 HD1 :: 7.31936 HE1 :: 10.11114 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 :: 120.40573 NE1 :: 129.2379 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 171.02685 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.05453 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 :: 119.96074 Ave N Shift Values>> N :: 116.28(3.52) 1.P61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.74049 CA :: 61.48846 CB :: 60.96929 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.46704 HB2 :: 2.4919(S) HB3 :: 3.21126 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.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.05 A 0.02 C Shift Assignments>> C :: 175.1861 CA :: 58.61528 CB :: 35.54675 CG1 :: 18.52176 CG2 :: 21.71645 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.8289 HA :: 4.80561 HB :: 2.31624 HG11 :: 0.13373 HG12 :: 0.13373 HG13 :: 0.13373 HG21 :: 0.84732 HG22 :: 0.84732 HG23 :: 0.84732 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 :: 112.67495 Ave N Shift Values>> N :: 121.14(4.54) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.04033 CA :: 61.75474 CB :: 69.28009 CG2 :: 21.79303 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 :: 8.45934 HA :: 4.15661 HB :: 4.20779 HG21 :: 1.09359 HG22 :: 1.09359 HG23 :: 1.09359 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 :: 108.01684 Ave N Shift Values>> N :: 115.42(4.75) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.22 R 0.21 D 0.09 C 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 172.18355 CA :: 54.28225 CB :: 44.08265 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.39366 HA :: 4.80805 HB2 :: 3.02648 HB3 :: 3.04267 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.26589 Ave N Shift Values>> N :: 120.17(4.64) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.11646 CA :: 44.88 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46096 HA2 :: 3.45785 HA3 :: 3.94583 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.603 Ave N Shift Values>> N :: 109.67(3.87) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.93571 CA :: 51.88466 CB :: 39.35073 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 :: 8.21882 HA :: 5.39686 HB2 :: 2.30753 HB3 :: 2.65201 HD21 :: 6.68606 HD22 :: 7.30368 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 :: 118.32152 ND2 :: 111.61812 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.5881 CA :: 44.78091 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.81484 HA2 :: 3.52255 HA3 :: 4.09288 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.83509 Ave N Shift Values>> N :: 109.67(3.87) 1.I70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.33 A 0.13 C Shift Assignments>> C :: 173.74656 CA :: 56.3576 CB :: 45.2932(S) CG1 :: 27.81382 CG2 :: 19.68532 CD1 :: 15.05026 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 :: 9.49192 HA :: 5.2539 HB :: 1.34038 HG12 :: 1.0002 HG13 :: 1.52811 HG21 :: 0.81286 HG22 :: 0.81286 HG23 :: 0.81286 HD11 :: 0.75067 HD12 :: 0.75067 HD13 :: 0.75067 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.61806 Ave N Shift Values>> N :: 121.46(4.28) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 M 0.11 E 0.04 C Shift Assignments>> C :: 175.15444 CA :: 55.23962 CB :: 34.72789 CG :: 35.98229 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 :: 8.87587 HA :: 4.58734 HB2 :: 1.63487 HB3 :: 2.14055 HG2 :: 2.1701 HG3 :: 2.1701 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.69822 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.04 A 0.02 I 0.01 C Shift Assignments>> C :: 175.66263 CA :: 58.72286 CB :: 36.75874 CG1 :: 19.33058 CG2 :: 22.55884 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 :: 8.76802 HA :: 6.0627 HB :: 2.00155 HG11 :: 0.85669 HG12 :: 0.85669 HG13 :: 0.85669 HG21 :: 0.93593 HG22 :: 0.93593 HG23 :: 0.93593 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 :: 111.43687 Ave N Shift Values>> N :: 121.14(4.54) 1.R73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S103 1.S103 C Shift Assignments>> C :: 173.42509 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 :: 8.51374 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 :: 117.38881 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.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.20058 CA :: 61.53508 CB :: 39.30688 CG1 :: 28.23347 CG2 :: 16.64599 CD1 :: 14.07329 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 :: 8.18292 HA :: 3.94915 HB :: 0.93466 HG12 :: 0.54915 HG13 :: 1.3122 HG21 :: 0.70296 HG22 :: 0.70296 HG23 :: 0.70296 HD11 :: 0.59543 HD12 :: 0.59543 HD13 :: 0.59543 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.83818 Ave N Shift Values>> N :: 121.46(4.28) 1.K75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.84516 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 :: 8.21474 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 :: 127.10306 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 179.57308 CA :: 65.84196 CB :: 31.57835 CG :: 27.72156 CD :: 50.22712 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.95873 HB2 :: 1.84165 HB3 :: 2.26523 HG2 :: 1.92096 HG3 :: 2.05919 HD2 :: 3.55949 HD3 :: 3.61113 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.05941 CA :: 45.89625 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62811 HA2 :: 3.76833 HA3 :: 3.91468 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.62484 Ave N Shift Values>> N :: 109.67(3.87) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.95894 CA :: 58.18271 CB :: 63.29783 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.07114 HA :: 4.60969 HB2 :: 3.69926 HB3 :: 3.89092 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 :: 116.10134 Ave N Shift Values>> N :: 116.28(3.52) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.21 C 0.04 L 0.02 V 0.01 C Shift Assignments>> C :: 177.06645 CA :: 54.55285 CB :: 19.51942 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.17592 HA :: 3.70776 HB1 :: 1.30475 HB2 :: 1.30475 HB3 :: 1.30475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.35917 Ave N Shift Values>> N :: 123.23(3.54) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.11 C 0.1 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 175.14729 CA :: 52.57406 CB :: 38.25281 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 :: 8.30798 HA :: 4.67149 HB2 :: 2.60467 HB3 :: 2.75227 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.85181 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.12554 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 :: 7.26645 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 :: 122.46658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 P 0.37 C 0.16 W 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 178.30002 CA :: 62.82555 CB :: 32.18896 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 :: 4.28344 HB2 :: 1.70743 HB3 :: 2.29313 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.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.15 C Shift Assignments>> C :: 178.2718 CA :: 59.18564 CB :: 31.87562 CG :: 25.47018 CD :: 28.91396 CE :: 42.27029 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 :: 8.53796 HA :: 3.73368 HB2 :: 1.7594 HB3 :: 1.7594 HG2 :: 1.40804 HG3 :: 1.52354 HD2 :: 1.61725 HD3 :: 1.66174 HE2 :: 2.93648 HE3 :: 2.93648 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 :: 122.62377 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.23 F 0.14 Y 0.13 L 0.11 C 0.09 I 0.01 HN Overlap>> 1.N53 1.N53 C Shift Assignments>> C :: 176.53107 CA :: 54.80551 CB :: 39.61687 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 :: 8.42459 HA :: 4.37069 HB2 :: 2.57427 HB3 :: 2.66694 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 :: 114.23699 Ave N Shift Values>> N :: 120.65(3.86) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.17 Q 0.06 K 0.04 C Shift Assignments>> C :: 176.22446 CA :: 55.1843 CB :: 30.62799 CG :: 36.11368 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.73264 HA :: 4.33212 HB2 :: 1.6236 HB3 :: 2.23004 HG2 :: 2.08789 HG3 :: 2.08789 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.29364 Ave N Shift Values>> N :: 120.67(3.48) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.29 R 0.09 G 0.03 A 0.01 C Shift Assignments>> C :: 175.94253 CA :: 55.62405 CB :: 42.66265 CG :: 26.49238 CD1 :: 23.43813 CD2 :: 26.01051 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 :: 6.99331 HA :: 3.97395 HB2 :: 0.87341 HB3 :: 1.69819 HG :: 1.7401 HD11 :: 0.68573 HD12 :: 0.68573 HD13 :: 0.68573 HD21 :: 0.80951 HD22 :: 0.80951 HD23 :: 0.80951 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.87059 Ave N Shift Values>> N :: 121.86(3.9) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.18 G 0.09 C 0.04 K 0.04 F 0.03 N 0.03 Y 0.01 C Shift Assignments>> C :: 177.16531 CA :: 52.39777 CB :: 43.08301 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.93207 HA :: 4.67033 HB2 :: 2.53782 HB3 :: 2.66706 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 :: 125.27608 Ave N Shift Values>> N :: 120.65(3.86) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.76172 CA :: 60.20777 CB :: 37.32761 CD1 :: 131.94449 CD2 :: 131.94449 CE1 :: 118.02114 CE2 :: 118.02114 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 :: 8.96881 HA :: 4.02294 HB2 :: 2.89531 HB3 :: 3.01001 HD1 :: 6.87126 HD2 :: 6.87126 HE1 :: 6.6134 HE2 :: 6.6134 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 :: 127.10828 Ave N Shift Values>> N :: 120.52(4.2) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.02 C Shift Assignments>> C :: 178.90594 CA :: 53.97483 CB :: 19.16825 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.07276 HA :: 4.08583 HB1 :: 1.35446 HB2 :: 1.35446 HB3 :: 1.35446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.47102 Ave N Shift Values>> N :: 123.23(3.54) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.24 K 0.16 F 0.09 Y 0.07 C 0.05 N 0.05 R 0.04 C Shift Assignments>> C :: 176.12346 CA :: 54.82377 CB :: 41.58106 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.81265 HA :: 4.76871 HB2 :: 2.35662 HB3 :: 2.62298 HD21 :: 6.87205 HD22 :: 7.83317 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.97391 ND2 :: 115.52735 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.3 G 0.13 D 0.06 C 0.06 F 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 173.99353 CA :: 55.97559 CB :: 43.91965 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 :: 8.75672 HA :: 4.84281 HB2 :: 2.55883 HB3 :: 2.82166 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 :: 115.36247 Ave N Shift Values>> N :: 120.65(3.86) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.47 A 0.04 C Shift Assignments>> C :: 175.45922 CA :: 57.64254 CB :: 38.78515 CG1 :: 27.32684 CG2 :: 17.68697 CD1 :: 11.86143 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 :: 6.7461 HA :: 4.81012 HB :: 1.97993 HG12 :: 1.23942 HG13 :: 1.23942 HG21 :: 0.74029 HG22 :: 0.74029 HG23 :: 0.74029 HD11 :: 0.60099 HD12 :: 0.60099 HD13 :: 0.60099 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 :: 116.5163 Ave N Shift Values>> N :: 121.46(4.28) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.26 E 0.19 C Shift Assignments>> C :: 174.50075 CA :: 54.66577 CB :: 32.74834 CG :: 36.97901 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 :: 9.15914 HA :: 4.61115 HB2 :: 1.6069 HB3 :: 1.84351 HG2 :: 2.15607 HG3 :: 2.21248 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 :: 127.75153 Ave N Shift Values>> N :: 120.67(3.48) 1.K94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 K 0.34 R 0.11 G 0.01 C Shift Assignments>> C :: 175.28218 CA :: 54.64055 CB :: 36.01777 CG :: 24.47836 CD :: 30.09208 CE :: 42.10048 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 :: 8.65879 HA :: 5.84137(S) HB2 :: 1.72894 HB3 :: 1.72894 HG2 :: 1.30323 HG3 :: 1.42109 HD2 :: 1.57342 HD3 :: 1.60704 HE2 :: 2.63053 HE3 :: 2.76577 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.70165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K95 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.7 K 0.21 A 0.07 C Shift Assignments>> C :: 173.66587 CA :: 55.03138 CB :: 35.7137 CG :: 23.02875 CD :: 29.27015 CE :: 40.8425 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 :: 8.81337 HA :: 4.5719 HB2 :: 1.21142 HB3 :: 1.35764 HG2 :: 0.26363(S) HG3 :: 0.52901 HD2 :: 0.34968(S) HD3 :: 0.72583(S) HE2 :: 1.09231(A) HE3 :: 1.89112(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.85513 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.83169 CA :: 60.96464 CB :: 38.55493 CG1 :: 28.65416 CG2 :: 17.01966 CD1 :: 13.09095 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 :: 8.34189 HA :: 4.4985 HB :: 1.63409 HG12 :: 1.01081 HG13 :: 1.53311 HG21 :: 0.76411 HG22 :: 0.76411 HG23 :: 0.76411 HD11 :: 0.75303 HD12 :: 0.75303 HD13 :: 0.75303 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 :: 122.59973 Ave N Shift Values>> N :: 121.46(4.28) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.05 C 0.03 C Shift Assignments>> C :: 171.87334 CA :: 52.26433 CB :: 46.65906 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.22855 HA :: 4.70793 HB2 :: 2.65478 HB3 :: 3.54722 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.23571 Ave N Shift Values>> N :: 120.17(4.64) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.38 R 0.07 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 175.53493 CA :: 55.64511 CB :: 33.16287 CG :: 24.51477 CD :: 29.35825 CE :: 42.05875 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 :: 8.31327 HA :: 4.65183 HB2 :: 1.52075 HB3 :: 1.52075 HG2 :: 1.07112 HG3 :: 1.16674 HD2 :: 1.51242 HD3 :: 1.51242 HE2 :: 2.78401 HE3 :: 2.78401 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 :: 123.37914 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.19 K 0.1 H 0.1 P 0.1 R 0.09 Q 0.07 W 0.05 E 0.02 C Shift Assignments>> C :: 176.14929 CA :: 52.36143 CB :: 32.47721 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 :: 8.32624 HA :: 4.7465 HB2 :: 1.94865 HB3 :: 1.94865 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 :: 124.23318 Ave N Shift Values>> N :: 120.09(3.57) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 K 0.11 Q 0.11 M 0.07 I 0.02 C Shift Assignments>> C :: 175.9331 CA :: 56.61946 CB :: 29.86302 CG :: 35.86464 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 :: 8.2228 HA :: 4.1002 HB2 :: 1.96554 HB3 :: 1.96554 HG2 :: 2.25761 HG3 :: 2.25761 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 :: 119.60729 Ave N Shift Values>> N :: 120.67(3.48) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.11 C Shift Assignments>> C :: 177.55414 CA :: 57.27838 CB :: 32.47889 CG :: 24.638 CD :: 29.22422 CE :: 42.06778 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 :: 8.41229 HA :: 3.943 HB2 :: 1.72208 HB3 :: 1.72208 HG2 :: 1.41586 HG3 :: 1.43702 HD2 :: 1.59791 HD3 :: 1.59791 HE2 :: 2.92149 HE3 :: 2.92149 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 :: 121.97384 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.15 F 0.11 Y 0.08 C 0.05 N 0.05 R 0.02 C Shift Assignments>> C :: 175.25811 CA :: 55.09986 CB :: 41.36693 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.84208 HA :: 4.44336 HB2 :: 2.66204 HB3 :: 3.15485 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.7507 Ave N Shift Values>> N :: 120.17(4.64) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R73 1.R73 C Shift Assignments>> C :: 174.45694 CA :: 58.4757 CB :: 63.77213 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.53763 HA :: 4.35362 HB2 :: 3.77885 HB3 :: 3.83681 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 :: 117.31479 Ave N Shift Values>> N :: 116.28(3.52) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.34041 CA :: 58.45579 CB :: 63.84312 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.24801 HA :: 4.36251 HB2 :: 3.73982 HB3 :: 3.73982 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 :: 117.89643 Ave N Shift Values>> N :: 116.28(3.52) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V108 1.F117 1.R19 1.V108 1.F117 1.R19 C Shift Assignments>> C :: 175.69332 CB :: 32.50841 CG1 :: 20.95969 CG2 :: 20.21435 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 :: 7.8729 HA :: 3.95532 HB :: 1.86785 HG11 :: 0.68335 HG12 :: 0.68335 HG13 :: 0.68335 HG21 :: 0.69723 HG22 :: 0.69723 HG23 :: 0.69723 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.64448 Ave N Shift Values>> N :: 121.14(4.54) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.36 C 0.2 C Shift Assignments>> C :: 175.14109 CA :: 57.61282 CB :: 39.57523 CD1 :: 131.57873 CD2 :: 131.57873 CE1 :: 131.62889 CE2 :: 131.62889 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 :: 8.06219 HA :: 4.52703 HB2 :: 2.86184 HB3 :: 3.02824 HD1 :: 7.13474 HD2 :: 7.13474 HE1 :: 7.23471 HE2 :: 7.23471 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 :: 122.71549 Ave N Shift Values>> N :: 120.45(4.18) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.2 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.55693 CA :: 53.13924 CB :: 39.01603 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 :: 8.15445 HA :: 4.57533 HB2 :: 2.57241 HB3 :: 2.66397 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.68713 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> C :: 176.08655 CA :: 62.51198 CB :: 32.66498 CG1 :: 20.88222 CG2 :: 20.88222 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 :: 7.95255 HA :: 3.97562 HB :: 1.96164 HG11 :: 0.81805 HG12 :: 0.81805 HG13 :: 0.81805 HG21 :: 0.81805 HG22 :: 0.81805 HG23 :: 0.81805 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.7095 Ave N Shift Values>> N :: 121.14(4.54) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.84095 CA :: 62.45777 CB :: 32.60925 CG1 :: 20.84764 CG2 :: 20.84764 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 :: 8.12 HA :: 3.97767 HB :: 1.94109 HG11 :: 0.81845 HG12 :: 0.81845 HG13 :: 0.81845 HG21 :: 0.81845 HG22 :: 0.81845 HG23 :: 0.81845 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 :: 123.72677 Ave N Shift Values>> N :: 121.14(4.54) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> C :: 175.20903 CA :: 53.08958 CB :: 38.87568 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 :: 8.40452 HA :: 4.66375 HB2 :: 2.64201 HB3 :: 2.74829 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 :: 122.41405 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N26 1.N26 C Shift Assignments>> C :: 174.87538 CA :: 58.62956 CB :: 63.78373 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.24857 HA :: 4.34954 HB2 :: 3.7541 HB3 :: 3.86108 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 :: 116.79891 Ave N Shift Values>> N :: 116.28(3.52) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.71813 CA :: 59.00461 CB :: 63.58911 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.34359 HA :: 4.33149 HB2 :: 3.77506 HB3 :: 3.83981 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 :: 117.7276 Ave N Shift Values>> N :: 116.28(3.52) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 K 0.07 M 0.07 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.23002 CA :: 57.01308 CB :: 30.05596 CG :: 36.16703 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 :: 8.22246 HA :: 4.1463 HB2 :: 1.842 HB3 :: 1.95727 HG2 :: 2.143 HG3 :: 2.16458 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 :: 121.94687 Ave N Shift Values>> N :: 120.67(3.48) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 175.26579 CA :: 53.50786 CB :: 38.70205 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 :: 8.20416 HA :: 4.54411 HB2 :: 2.64175 HB3 :: 2.68884 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 :: 118.80514 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.31 R 0.02 A 0.01 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 177.26474 CA :: 55.70784 CB :: 42.084 CG :: 26.76619 CD1 :: 23.31784 CD2 :: 24.82313 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 :: 7.97333 HA :: 4.09536 HB2 :: 1.2367 HB3 :: 1.37938 HG :: 1.37488 HD11 :: 0.68845 HD12 :: 0.68845 HD13 :: 0.68845 HD21 :: 0.75869 HD22 :: 0.75869 HD23 :: 0.75869 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 :: 121.93388 Ave N Shift Values>> N :: 121.86(3.9) 1.Y116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 HN Overlap>> 1.H43 1.H43 C Shift Assignments>> C :: 175.81016 CA :: 58.32801 CB :: 38.41106 CD1 :: 133.0317 CD2 :: 133.0317 CE1 :: 118.07064 CE2 :: 118.07064 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 :: 7.92914 HA :: 4.36254 HB2 :: 2.76782 HB3 :: 2.8454 HD1 :: 6.87259 HD2 :: 6.87259 HE1 :: 6.6564 HE2 :: 6.6564 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 :: 119.39287 Ave N Shift Values>> N :: 120.52(4.2) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.36 C 0.21 HN Overlap>> 1.V105 1.V105 1.R19 1.R19 C Shift Assignments>> C :: 175.64608 CA :: 57.93748 CB :: 39.38554 CD1 :: 131.57873 CD2 :: 131.57873 CE1 :: 131.62889 CE2 :: 131.62889 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 :: 7.8728 HA :: 4.42111 HB2 :: 2.90692 HB3 :: 3.00375 HD1 :: 7.10849 HD2 :: 7.10849 HE1 :: 7.22662 HE2 :: 7.22662 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.60224 Ave N Shift Values>> N :: 120.45(4.18) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 M 0.06 E 0.06 R 0.03 C Shift Assignments>> C :: 175.83446 CA :: 55.96033 CB :: 29.32265 CG :: 33.69845 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 :: 8.09897 HA :: 4.18858 HB2 :: 1.83604 HB3 :: 1.97211 HG2 :: 2.19295 HG3 :: 2.19295 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 :: 121.39408 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.12235 CA :: 58.64458 CB :: 63.78648 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.18091 HA :: 4.30438 HB2 :: 3.7676 HB3 :: 3.83743 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 :: 116.52641 Ave N Shift Values>> N :: 116.28(3.52) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.60903 CA :: 45.42971 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.34246 HA2 :: 3.87463 HA3 :: 3.87463 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.71424 Ave N Shift Values>> N :: 109.67(3.87) 1.G121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.83609 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.13517 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.07772 Ave N Shift Values>> N :: 109.67(3.87) 1.H122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 123 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 21 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 1 C Shift Results: #Consistent: 430 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 651 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 1 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S63 HB2 = 2.4919(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.8177e-08 1.I70 CB = 45.2932(S), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7163e-04 1.K94 HA = 5.84137(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.5522e-04 1.K95 HG2 = 0.26363(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.0880e-05 1.K95 HD2 = 0.34968(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.0119e-08 1.K95 HD3 = 0.72583(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.0824e-05 1.K95 HE2 = 1.09231(A), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6203e-22 1.K95 HE3 = 1.89112(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.4985e-07 1.K95 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K95 SRO Rule Break>> HE2 > HB3 : 0.995656220912194