Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 177.1505675 CA :: 52.75812325 CB :: 19.313554 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.181218503 HA :: 4.27111925 HB1 :: 1.360079189 HB2 :: 1.360079189 HB3 :: 1.360079189 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7072571 Ave N Shift Values>> N :: 123.23(3.54) 1.N2 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 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 175.0476654 CA :: 53.19560152 CB :: 38.9846402 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 :: 8.438044809 HA :: 4.717392169 HB2 :: 2.764252388 HB3 :: 2.833696485 HD21 :: 7.773323063 HD22 :: 7.490856171 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 :: 117.5893741 ND2 :: 107.9369723 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5458184 CA :: 58.96682963 CB :: 63.94315252 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.134948996 HA :: 4.407537398 HB2 :: 3.875922573 HB3 :: 3.952079146 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 :: 116.3203369 Ave N Shift Values>> N :: 116.28(3.52) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.14 C Shift Assignments>> C :: 176.9123176 CA :: 57.72280962 CB :: 32.14572662 CG :: 25.17655691 CD :: 29.13039332 CE :: 42.17890428 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 :: 8.360856048 HA :: 4.095228981 HB2 :: 1.822528824 HB3 :: 1.796510396 HG2 :: 1.472796305 HG3 :: 1.472796305 HD2 :: 1.660661527 HD3 :: 1.670694311 HE2 :: 2.984203821 HE3 :: 2.984203821 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 :: 122.174357 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.04 I 0.03 C Shift Assignments>> C :: 179.7552746 CA :: 54.66097269 CB :: 18.42096499 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.941594366 HA :: 4.096346176 HB1 :: 1.414919028 HB2 :: 1.414919028 HB3 :: 1.414919028 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8493857 Ave N Shift Values>> N :: 123.23(3.54) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 176.0058406 CA :: 64.28687258 CB :: 31.89033799 CG1 :: 21.70411301 CG2 :: 20.68011861 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 :: 7.608918245 HA :: 3.839647605 HB :: 2.017176406 HG11 :: 1.000903618 HG12 :: 1.000903618 HG13 :: 1.000903618 HG21 :: 0.9419492995 HG22 :: 0.9419492995 HG23 :: 0.9419492995 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.7418677 Ave N Shift Values>> N :: 121.14(4.54) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.12 D 0.12 L 0.1 I 0.05 N 0.03 K 0.01 C Shift Assignments>> C :: 173.186697 CA :: 57.06918655 CB :: 39.88105304 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.580032618 HA :: 4.277298589 HB2 :: 2.854183482 HB3 :: 2.833170362 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 :: 115.3983544 Ave N Shift Values>> N :: 120.17(4.64) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.26 L 0.07 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.4226082 CA :: 52.56598118 CB :: 39.61555252 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 :: 7.304341748 HA :: 4.985915176 HB2 :: 2.64611354 HB3 :: 3.018614796 HD21 :: 7.512814973 HD22 :: 6.892270749 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 :: 111.1731176 ND2 :: 112.2849262 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.28 C 0.28 C Shift Assignments>> C :: 174.3712276 CA :: 53.65719539 CB :: 41.13802763 CG :: 26.73703959 CD1 :: 22.0440464 CD2 :: 22.0440464 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 :: 7.413542801 HA :: 4.483901225 HB2 :: 1.578454546 HB3 :: 1.940367536 HG :: 1.945037336 HD11 :: 0.9622561251 HD12 :: 0.9622561251 HD13 :: 0.9622561251 HD21 :: 1.005133918 HD22 :: 1.005133918 HD23 :: 1.005133918 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 :: 121.6535983 Ave N Shift Values>> N :: 121.86(3.9) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 174.677814 CA :: 62.13457914 CB :: 32.28991148 CG :: 27.09109156 CD :: 49.90592636 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 :: 4.452752493 HB2 :: 1.775719633 HB3 :: 2.23378001 HG2 :: 2.041679937 HG3 :: 1.75540368 HD2 :: 3.760245321 HD3 :: 3.523859192 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.K11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.3 R 0.13 A 0.02 C Shift Assignments>> C :: 176.0482298 CA :: 56.343241 CB :: 31.13590054 CG :: 22.77929038 CD :: 29.02801039 CE :: 41.48408559 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 :: 7.895019917 HA :: 3.576452861 HB2 :: 0.8998970333(S) HB3 :: 0.8776837864 HG2 :: 0.09315835794(S) HG3 :: -0.5913560011(S) HD2 :: 0.9397623791 HD3 :: 0.7067735062(S) HE2 :: 2.425021466 HE3 :: 2.533659606 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 :: 119.4716062 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.25 C 0.16 R 0.01 C Shift Assignments>> C :: 175.1855067 CA :: 53.51023208 CB :: 44.14510786 CG :: 27.02030373 CD1 :: 24.6151104 CD2 :: 24.6151104 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 :: 7.738844399 HA :: 4.675946497 HB2 :: 1.359272769 HB3 :: 1.619557263 HG :: 1.47910159 HD21 :: 0.9095526253 HD22 :: 0.9095526253 HD23 :: 0.9095526253 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 :: 128.6318076 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 C 0.06 L 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 175.9281516 CA :: 54.65078343 CB :: 19.38155011 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.837518467 HA :: 4.53460273 HB1 :: 1.614742651 HB2 :: 1.614742651 HB3 :: 1.614742651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.961193 Ave N Shift Values>> N :: 123.23(3.54) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.8870821 CA :: 44.14575668 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.636187988 HA2 :: 3.746562537 HA3 :: 4.441672948 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.6361896 Ave N Shift Values>> N :: 109.67(3.87) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.23 R 0.17 K 0.09 F 0.04 C 0.04 N 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 174.5119508 CA :: 53.51397574 CB :: 42.74038053 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.824608044 HA :: 4.643266087 HB2 :: 2.656005705 HB3 :: 2.625149719 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 :: 119.2623613 Ave N Shift Values>> N :: 120.65(3.86) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 K 0.09 Q 0.06 I 0.05 HN Overlap>> 1.N2 1.N2 C Shift Assignments>> C :: 177.2961905 CA :: 57.03581807 CB :: 29.71386241 CG :: 36.31179826 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 :: 8.424828864 HA :: 4.313060262 HB2 :: 2.129620756 HB3 :: 1.915232711 HG2 :: 2.209274221 HG3 :: 2.209274221 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 :: 117.6694685 Ave N Shift Values>> N :: 120.67(3.48) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.8952273 CA :: 62.85828071 CB :: 69.27526196 CG2 :: 21.6437964 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 :: 8.180280694 HA :: 4.159994987 HB :: 4.228434191 HG21 :: 1.137031187 HG22 :: 1.137031187 HG23 :: 1.137031187 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 :: 111.1449802 Ave N Shift Values>> N :: 115.42(4.75) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.17 L 0.14 N 0.11 C 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 173.5007727 CA :: 55.70704825 CB :: 40.01089028 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.009163377 HA :: 4.806303896 HB2 :: 3.069323763 HB3 :: 3.121036351 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.7682267 Ave N Shift Values>> N :: 120.17(4.64) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.488974 CA :: 58.77280724 CB :: 63.5336188 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.209520622 HA :: 4.397941836 HB2 :: 3.824978255 HB3 :: 3.914041426 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 :: 116.4990713 Ave N Shift Values>> N :: 116.28(3.52) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.22 C 0.08 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> C :: 173.734183 CA :: 53.01688433 CB :: 39.23678398 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 :: 7.868392482 HA :: 4.716799874 HB2 :: 2.633654079 HB3 :: 2.907206773 HD21 :: 7.468725813 HD22 :: 6.920339202 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 :: 120.4933942 ND2 :: 112.5254967 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.38 R 0.09 C Shift Assignments>> C :: 175.0848083 CA :: 55.82291828 CB :: 33.51028716 CG :: 24.46845129 CD :: 29.12906837 CE :: 42.18919373 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 :: 8.073204874 HA :: 4.358157466 HB2 :: 1.715114591 HB3 :: 1.837940386 HG2 :: 1.40964076 HG3 :: 1.40964076 HD2 :: 1.666011265 HD3 :: 1.683828286 HE2 :: 2.997466019 HE3 :: 2.997466019 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 :: 119.6893802 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T22 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 :: 173.8326878 CA :: 62.04455745 CB :: 70.0046672 CG2 :: 21.72392082 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 :: 7.828827913 HA :: 4.356671166 HB :: 3.887979905 HG21 :: 1.011630944 HG22 :: 1.011630944 HG23 :: 1.011630944 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 :: 115.4402192 Ave N Shift Values>> N :: 115.42(4.75) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 E 0.04 C Shift Assignments>> C :: 173.7822286 CA :: 54.91449187 CB :: 34.92821687 CG :: 36.17918205 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 :: 8.621805856 HA :: 4.642464761 HB2 :: 1.76334708 HB3 :: 2.134774745 HG2 :: 2.168482712 HG3 :: 2.282534531 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 :: 122.1663946 Ave N Shift Values>> N :: 120.67(3.48) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.5077792 CA :: 61.1203278 CB :: 37.26648199 CG1 :: 27.98963839 CG2 :: 17.40361023 CD1 :: 12.47935295 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 :: 8.24534523 HA :: 4.161920249 HB :: 1.516329067 HG12 :: 1.315802668 HG13 :: 0.8135586952 HG21 :: 0.602572075 HG22 :: 0.602572075 HG23 :: 0.602572075 HD11 :: 0.6238148128 HD12 :: 0.6238148128 HD13 :: 0.6238148128 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 :: 122.3515944 Ave N Shift Values>> N :: 121.46(4.28) 1.R25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.29 G 0.17 R 0.09 C Shift Assignments>> C :: 172.3587512 CA :: 52.0868916 CB :: 34.60936869 CG :: 28.67976577 CD :: 42.88873672 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 :: 8.120886729 HA :: 4.55795472 HB2 :: 1.64122462 HB3 :: 0.5675466897(S) HG2 :: 1.181323272 HG3 :: 1.181323272 HD2 :: 2.851811341 HD3 :: 3.473594836 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.1915393 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.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 H 0.18 W 0.03 Y 0.02 C Shift Assignments>> C :: 174.7446527 CA :: 58.71836579 CB :: 33.80350285 CD1 :: 122.7263642 CE3 :: 122.7263642 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 :: 9.214058985 HA :: 5.771642561 HB2 :: 3.098308188 HB3 :: 2.924160971 HD1 :: 6.566157731 HE1 :: 10.33272307 HE3 :: 6.700906897 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 :: 118.0920222 NE1 :: 128.9602599 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.57 Y 0.27 C 0.14 C Shift Assignments>> CA :: 54.49919338 CB :: 41.67372313 CD1 :: 131.640251 CD2 :: 131.640251 CE2 :: 115.166841 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>> HA :: 5.251969426 HB2 :: 2.84872987 HB3 :: 2.84872987 HD1 :: 6.979877126 HD2 :: 6.979877126 HE1 :: 6.556828438 HE2 :: 6.556828438 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) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.16 I 0.13 D 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 175.4329705 CA :: 58.25079798 CB :: 39.32336445 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 :: 10.30441254 HA :: 4.600599475 HB2 :: 3.57235507 HB3 :: 2.853156188 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 :: 124.5626072 Ave N Shift Values>> N :: 120.52(4.2) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.15 C 0.09 F 0.05 Y 0.05 L 0.03 C Shift Assignments>> C :: 174.8825872 CA :: 52.5530368 CB :: 38.67886608 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 :: 7.876391732 HA :: 4.345023523 HB2 :: 3.347849066 HB3 :: 2.065269445 HD21 :: 7.99174919 HD22 :: 6.844748821 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 :: 125.3489068 ND2 :: 112.0630129 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.8073238 CA :: 45.00847274 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.512039402(S) HA2 :: 4.516238179 HA3 :: 3.475641488 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2785957 Ave N Shift Values>> N :: 109.67(3.87) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.181939 CA :: 63.76419488 CB :: 71.21561948 CG2 :: 21.57916451 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 :: 8.166769416 HA :: 4.293366985 HB :: 3.935665318 HG21 :: 1.095528296 HG22 :: 1.095528296 HG23 :: 1.095528296 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 :: 114.0529419 Ave N Shift Values>> N :: 115.42(4.75) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.39 C 0.13 K 0.02 C Shift Assignments>> C :: 175.4838478 CA :: 51.43430021 CB :: 22.66274549 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.156246047 HA :: 4.540219707 HB1 :: 1.282800125 HB2 :: 1.282800125 HB3 :: 1.282800125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4126874 Ave N Shift Values>> N :: 123.23(3.54) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.04 F 0.01 C Shift Assignments>> CA :: 58.88154616 CB :: 47.08521783 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.375678885 HA :: 5.162118594 HB2 :: 3.332599864 HB3 :: 2.50573059 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.5351684 Ave N Shift Values>> N :: 120.17(4.64) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 E 0.12 C Shift Assignments>> C :: 173.2916532 CA :: 55.27700627 CB :: 33.9798717 CG :: 36.41562843 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 :: 9.645456177 HA :: 4.367756299 HB2 :: 1.823498546 HB3 :: 1.823498546 HG2 :: 2.431041411 HG3 :: 2.379150084 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 :: 128.0083359 Ave N Shift Values>> N :: 120.67(3.48) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 177.3649406 CA :: 51.40096033 CB :: 19.07896468 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.528634463 HA :: 4.357910074 HB1 :: 0.9514570264 HB2 :: 0.9514570264 HB3 :: 0.9514570264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.6531806 Ave N Shift Values>> N :: 123.23(3.54) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.3 C 0.21 G 0.02 C Shift Assignments>> CA :: 55.4794617 CB :: 42.19278536 CD2 :: 130.1505016 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.66727096 HA :: 4.795534552 HB2 :: 2.893476657 HB3 :: 3.044661692 HD2 :: 7.04743664 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 :: 120.9877562 Ave N Shift Values>> N :: 120.45(4.18) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 173.759534 CA :: 60.86123085 CB :: 36.78253347 CG1 :: 27.32025961 CG2 :: 17.67960657 CD1 :: 12.14782187 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 :: 8.157034912 HA :: 3.878839593 HB :: 1.734842641 HG12 :: 0.9122792371 HG13 :: 1.435299328 HG21 :: 0.5866834286 HG22 :: 0.5866834286 HG23 :: 0.5866834286 HD11 :: 0.6552909181 HD12 :: 0.6552909181 HD13 :: 0.6552909181 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 :: 119.1873109 Ave N Shift Values>> N :: 121.46(4.28) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.38 C 0.13 C Shift Assignments>> C :: 174.784988 CA :: 54.48487622 CB :: 41.43073673 CD1 :: 132.116 CD2 :: 132.116 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 :: 8.697389125 HA :: 5.066630776 HB2 :: 2.686070225 HB3 :: 2.27907426 HD1 :: 7.276 HD2 :: 7.276 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 :: 130.1307994 Ave N Shift Values>> N :: 120.45(4.18) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.16 C Shift Assignments>> C :: 175.0179674 CA :: 57.40612569 CB :: 32.57190828 CG :: 25.69813898 CD :: 28.73222964 CE :: 42.13108444 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 :: 8.760227941 HA :: 3.93877573 HB2 :: 1.393006755 HB3 :: 1.648737831 HG2 :: 1.264412558 HG3 :: 1.188303363 HD2 :: 1.453889655 HD3 :: 1.386530208 HE2 :: 2.831437281 HE3 :: 2.831437281 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.3169423 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.8168632 CA :: 45.78958184 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.095382345 HA3 :: 2.97339 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 K 0.18 R 0.09 F 0.08 Y 0.05 C 0.04 N 0.03 C Shift Assignments>> C :: 172.8997177 CA :: 54.88456989 CB :: 42.07847039 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.109898091 HA :: 4.904917661 HB2 :: 3.221472228 HB3 :: 3.054441808 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.7722736 Ave N Shift Values>> N :: 120.17(4.64) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.5184457 CA :: 46.51936082 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.806137094 HA2 :: 4.015656976 HA3 :: 3.828932157 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2114811 Ave N Shift Values>> N :: 109.67(3.87) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 172.7309759 CA :: 44.34757518 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.624969399 HA2 :: 4.038047462 HA3 :: 4.020729625 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2804686 Ave N Shift Values>> N :: 109.67(3.87) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.29 L 0.08 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.0818596 CA :: 51.30275273 CB :: 40.0361843 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 :: 8.56898188 HA :: 4.846652417 HB2 :: 3.296746721 HB3 :: 2.769974821 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 :: 117.7432827 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.16 F 0.12 Y 0.09 R 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 176.1097087 CA :: 56.06338663 CB :: 41.75322435 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.569003627 HA :: 4.428444709 HB2 :: 2.756902384 HB3 :: 2.198159595 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 :: 111.988028 Ave N Shift Values>> N :: 120.65(3.86) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 N 0.36 Q 0.04 P 0.04 E 0.04 K 0.03 Y 0.01 F 0.01 H 0.01 C Shift Assignments>> C :: 173.2824673 CA :: 50.76383211 CB :: 35.52861297 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 :: 7.736964789 HA :: 4.607456139 HB2 :: 2.825679449 HB3 :: 3.221835195 HD21 :: 7.804114866 HD22 :: 7.500154018 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 :: 120.9702488 ND2 :: 107.9727082 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.14 C 0.12 Y 0.1 F 0.09 L 0.04 E 0.01 C Shift Assignments>> C :: 173.412209 CA :: 53.83691678 CB :: 38.42362365 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 :: 6.366562569 HA :: 4.740100793 HB2 :: 2.502885287 HB3 :: 2.65062591 HD21 :: 7.511217328 HD22 :: 6.881905079 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 :: 117.7685117 ND2 :: 112.4755444 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.32 C 0.2 G 0.01 C Shift Assignments>> C :: 175.5497648 CA :: 56.32733151 CB :: 42.25191706 CD2 :: 130.2410644 CE2 :: 129.0656668 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.860364102 HA :: 4.98144612 HB2 :: 2.803285531 HB3 :: 3.450637034 HD1 :: 7.369137792 HD2 :: 7.369137792 HE2 :: 7.558737291 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.1303343 Ave N Shift Values>> N :: 120.45(4.18) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 F 0.14 Y 0.11 N 0.1 C 0.07 K 0.07 C Shift Assignments>> C :: 174.6387241 CA :: 55.07290825 CB :: 40.6974519 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 :: 9.100121438 HA :: 4.793162278 HB2 :: 2.620459489 HB3 :: 2.661266497 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 :: 121.8204078 Ave N Shift Values>> N :: 120.65(3.86) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 G 0.12 K 0.07 C Shift Assignments>> C :: 176.2781481 CA :: 54.40935447 CB :: 33.38177106 CG :: 26.75374846 CD :: 43.46983337 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 :: 7.613573251 HA :: 4.419065837 HB2 :: 1.867276958 HB3 :: 1.702772549 HG2 :: 1.654924921 HG3 :: 1.54838133 HD2 :: 3.20567005 HD3 :: 3.20567005 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 :: 115.2568539 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.V51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 V 0.28 C Shift Assignments>> C :: 175.7248969 CA :: 64.99781284 CB :: 29.61111105 CG1 :: 18.35791788 CG2 :: 22.38334729 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 :: 7.622814801 HA :: 2.846261438 HB :: -0.4699725466(S) HG11 :: 0.3835766391 HG12 :: 0.3835766391 HG13 :: 0.3835766391 HG21 :: 0.4185946713 HG22 :: 0.4185946713 HG23 :: 0.4185946713 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.9766454 Ave N Shift Values>> N :: 121.14(4.54) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 D 0.19 N 0.12 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 177.5415116 CA :: 55.91108368 CB :: 39.60500457 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 :: 8.417296021 HA :: 4.17259556 HB2 :: 2.481736809 HB3 :: 2.29344708 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.1171459 Ave N Shift Values>> N :: 120.65(3.86) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 D 0.13 K 0.12 C 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 176.480977 CA :: 57.018664 CB :: 40.87330104 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 :: 6.761824918 HA :: 4.310804603 HB2 :: 2.869607862 HB3 :: 2.869607862 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 :: 117.6335487 Ave N Shift Values>> N :: 120.65(3.86) 1.C54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.23 F 0.22 Y 0.16 L 0.1 C 0.1 R 0.07 I 0.05 D 0.03 C Shift Assignments>> C :: 175.1489417 CA :: 58.88886505 CB :: 41.83591199 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.415313483 HA :: 2.223452314(S) HB2 :: 3.016741923 HB3 :: 2.497447899 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.8701113 Ave N Shift Values>> N :: 120.17(4.64) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.22 E 0.1 I 0.05 R 0.04 C Shift Assignments>> C :: 177.8292654 CA :: 59.31102686 CB :: 28.4982874 CG :: 34.27789307 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 :: 8.438040896 HA :: 3.477212007 HB2 :: 1.804377899 HB3 :: 1.958126162 HG2 :: 2.211215156 HG3 :: 2.295772961 HE21 :: 6.464803382 HE22 :: 7.474726229 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 :: 120.2776733 NE2 :: 111.3315531 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.41 K 0.08 G 0.05 C Shift Assignments>> C :: 176.9498364 CA :: 58.9408991 CB :: 30.39254275 CG :: 27.90069231 CD :: 43.25226212 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 :: 7.851485874 HA :: 3.843441823 HB2 :: 1.703696668 HB3 :: 1.832748923 HG2 :: 1.657876873 HG3 :: 1.53273911 HD2 :: 3.333843708 HD3 :: 3.156693152 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 :: 117.3794511 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.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.33 R 0.09 G 0.04 C Shift Assignments>> C :: 177.6350143 CA :: 56.867498 CB :: 43.07908584 CG :: 27.29921341 CD1 :: 25.15056515 CD2 :: 23.63952813 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 :: 6.983561494 HA :: 4.2125665 HB2 :: 1.650428586 HB3 :: 1.455776229 HG :: 1.403919867 HD11 :: 0.9566062705 HD12 :: 0.9566062705 HD13 :: 0.9566062705 HD21 :: 0.8566097904 HD22 :: 0.8566097904 HD23 :: 0.8566097904 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 :: 116.0483035 Ave N Shift Values>> N :: 121.86(3.9) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.17 F 0.08 K 0.06 Y 0.06 C 0.05 C Shift Assignments>> C :: 174.6701246 CA :: 53.57259277 CB :: 40.9201393 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.831972771 HA :: 4.520233666 HB2 :: 2.138754906 HB3 :: 1.540792403 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 :: 110.6777882 Ave N Shift Values>> N :: 120.17(4.64) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.36 I 0.07 K 0.01 C Shift Assignments>> C :: 176.1889475 CA :: 56.853129 CB :: 30.41903688 CG :: 37.75109981 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 :: 7.558037912 HA :: 4.377995384 HB2 :: 2.125888231 HB3 :: 2.104801322 HG2 :: 2.35807778 HG3 :: 2.35807778 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 :: 117.3578087 Ave N Shift Values>> N :: 120.67(3.48) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 C 0.38 K 0.06 Q 0.04 I 0.04 C Shift Assignments>> C :: 175.8858928 CA :: 56.72877864 CB :: 30.08150434 CG :: 36.49894714 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 :: 7.901094796 HA :: 4.162275149 HB2 :: 1.981497719 HB3 :: 1.926366563 HG2 :: 2.214576415 HG3 :: 2.160024098 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 :: 120.6343487 Ave N Shift Values>> N :: 120.67(3.48) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.29 C 0.25 E 0.07 R 0.02 C Shift Assignments>> C :: 175.5174157 CA :: 55.64317396 CB :: 29.49457308 CG :: 33.77087104 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 :: 8.275813324 HA :: 4.357672563 HB2 :: 1.898878914 HB3 :: 2.052460482 HG2 :: 2.302830591 HG3 :: 2.302830591 HE21 :: 7.437507248 HE22 :: 6.759371074 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 :: 121.200082 NE2 :: 112.7057168 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T62 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 :: 173.1513601 CA :: 61.90275096 CB :: 69.88730217 CG2 :: 21.448 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 :: 8.096213594 HA :: 4.248799603 HB :: 4.149519942 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 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 :: 115.3157368 Ave N Shift Values>> N :: 115.42(4.75) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 H 0.4 W 0.13 C Shift Assignments>> C :: 178.2859663 CA :: 56.9377239 CB :: 30.07091457 CD2 :: 116.8469642 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 :: 8.011537077 HA :: 4.44632399 HB2 :: 3.048185076 HB3 :: 3.219370914 HD2 :: 7.167708739 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 :: 125.5550993 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 58 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 63 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 63 #Suspicious: 0 C Shift Results: #Consistent: 242 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 375 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 69 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K11 HB2 = 0.8998970333(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.3088e-04 1.K11 HG2 = 0.09315835794(S), Expected = 1.37, Std = 0.2600, ChiSquare = 9.0646e-07 1.K11 HG3 = -0.5913560011(S), Expected = 1.35, Std = 0.2800, ChiSquare = 4.1080e-12 1.K11 HD3 = 0.7067735062(S), Expected = 1.60, Std = 0.2200, ChiSquare = 4.9047e-05 1.R25 HB3 = 0.5675466897(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.0556e-05 1.G30 H = 5.512039402(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4555e-05 1.V51 HB = -0.4699725466(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.9157e-14 1.C54 HA = 2.223452314(S), Expected = 4.66, Std = 0.5500, ChiSquare = 9.4195e-06