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.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.48 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.086381 CA :: 53.42516417 CB :: 38.89850726 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>> HA :: 4.760319068 HB2 :: 2.807380816 HB3 :: 2.888215687 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.37 A 0.11 HN Overlap>> 1.C29 1.C29 C Shift Assignments>> C :: 176.1297446 CA :: 55.72426039 CB :: 32.53296304 CG :: 32.061444 CE :: 16.93800297 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 :: 8.648401346 HA :: 4.508687226 HB2 :: 2.009368363 HB3 :: 2.165652304 HG2 :: 2.557061315 HG3 :: 2.639256875 HE1 :: 2.053047449 HE2 :: 2.053047449 HE3 :: 2.053047449 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.8913075 Ave N Shift Values>> N :: 120.09(3.57) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 C Shift Assignments>> C :: 176.5609416 CA :: 54.72648568 CB :: 41.18457225 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 :: 8.398309374 HA :: 4.606766605 HB2 :: 2.715614029 HB3 :: 2.715614029 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 :: 120.958694 Ave N Shift Values>> N :: 120.65(3.86) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0134354 CA :: 58.83116327 CB :: 63.5690877 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.181915866 HA :: 4.41304738 HB2 :: 3.911513561 HB3 :: 3.911513561 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 :: 115.4165625 Ave N Shift Values>> N :: 116.28(3.52) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.15 Q 0.11 R 0.11 H 0.1 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 176.3618198 CA :: 56.07347393 CB :: 32.59688275 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 :: 8.374244339 HA :: 4.448207579 HB2 :: 2.057835983 HB3 :: 2.126780229 HG2 :: 2.553969754 HG3 :: 2.636403075 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.9204318 Ave N Shift Values>> N :: 120.09(3.57) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 F 0.11 K 0.1 N 0.09 Y 0.09 C 0.06 R 0.01 C Shift Assignments>> C :: 176.6252411 CA :: 54.76644033 CB :: 41.00987188 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 :: 8.294872272 HA :: 4.578474849 HB2 :: 2.639342768 HB3 :: 2.72519699 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 :: 120.8843949 Ave N Shift Values>> N :: 120.65(3.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.6866571 CA :: 55.61822182 CB :: 42.18274553 CG :: 26.94265384 CD1 :: 23.51293519 CD2 :: 25.19192998 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 :: 8.103628921 HA :: 4.330017475 HB2 :: 1.650455992 HB3 :: 1.694115624 HG :: 1.246786267 HD11 :: 0.8858618772 HD12 :: 0.8858618772 HD13 :: 0.8858618772 HD21 :: 0.9485191506 HD22 :: 0.9485191506 HD23 :: 0.9485191506 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 :: 121.9286549 Ave N Shift Values>> N :: 121.86(3.9) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 178.0041872 CA :: 55.56631042 CB :: 42.30192853 CG :: 27.07905487 CD1 :: 23.48453056 CD2 :: 25.12675916 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 :: 8.109426665 HA :: 4.336600183 HB2 :: 1.65805385 HB3 :: 1.770700592 HG :: 0.9534007006 HD11 :: 0.8961151001 HD12 :: 0.8961151001 HD13 :: 0.8961151001 HD21 :: 0.9617808398 HD22 :: 0.9617808398 HD23 :: 0.9617808398 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9278956 Ave N Shift Values>> N :: 121.86(3.9) 1.G10 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 HN Overlap>> 1.G35 1.G35 C Shift Assignments>> C :: 173.7804351 CA :: 45.55894964 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.261249821 HA2 :: 3.900125929 HA3 :: 3.947648224 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8635541 Ave N Shift Values>> N :: 109.67(3.87) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.8684411 CA :: 60.2865363 CB :: 39.61688735 CG1 :: 27.29903433 CG2 :: 17.50946518 CD1 :: 13.53596786 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 :: 7.679466825 HA :: 4.218021602 HB :: 1.814188317 HG12 :: 1.409491828 HG13 :: 1.168313348 HG21 :: 0.8163866646 HG22 :: 0.8163866646 HG23 :: 0.8163866646 HD11 :: 0.7862817077 HD12 :: 0.7862817077 HD13 :: 0.7862817077 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 :: 118.8649035 Ave N Shift Values>> N :: 121.46(4.28) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.14 K 0.08 C 0.05 F 0.04 R 0.03 Y 0.02 C Shift Assignments>> C :: 175.2677758 CA :: 51.95059578 CB :: 41.78366341 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 :: 8.162767286 HA :: 4.840732679 HB2 :: 2.764150524 HB3 :: 2.792301915 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 :: 125.4300764 Ave N Shift Values>> N :: 120.65(3.86) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.2150158 CA :: 64.63969112 CB :: 32.26090647 CG :: 27.22784158 CD :: 51.27651653 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 :: 4.267359598 HB2 :: 2.329318255 HB3 :: 1.941835395 HG2 :: 2.020452778 HG3 :: 2.020452778 HD2 :: 3.868756483 HD3 :: 3.9500783 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.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.46 R 0.01 C Shift Assignments>> C :: 176.7332708 CA :: 58.0074949 CB :: 31.84830771 CG :: 24.02061271 CE :: 41.63364874 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 :: 8.351999993 HA :: 3.971468163 HB2 :: 1.366420316 HB3 :: 1.567573272 HG2 :: 1.048862426 HG3 :: 1.048862426 HD2 :: 1.5323978 HD3 :: 1.5323978 HE2 :: 2.863699901 HE3 :: 2.863699901 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.6962291 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.37 C 0.21 C Shift Assignments>> C :: 173.954184 CA :: 54.51438492 CB :: 28.76150687 CD2 :: 120.7816836 CE1 :: 136.3822288 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 :: 7.963865636 HB2 :: 2.390334761 HB3 :: 2.390334761 HD2 :: 7.187320669 HE1 :: 8.712069492 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 :: 113.2318207 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.8153152 CA :: 62.1204004 CB :: 32.54451151 CG1 :: 20.88458041 CG2 :: 22.75731191 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 :: 7.058605795 HA :: 4.008431048 HB :: 1.911253349 HG11 :: 0.9329571941 HG12 :: 0.9329571941 HG13 :: 0.9329571941 HG21 :: 0.9797260417 HG22 :: 0.9797260417 HG23 :: 0.9797260417 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 :: 122.6690916 Ave N Shift Values>> N :: 121.14(4.54) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.19 F 0.16 D 0.13 Y 0.12 C 0.07 R 0.04 I 0.01 N 0.01 C Shift Assignments>> C :: 173.9161433 CA :: 56.74818512 CB :: 41.5507328 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.023274072 HA :: 3.898546569 HB2 :: 3.112868809 HB3 :: 3.273265054 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 :: 124.8973227 Ave N Shift Values>> N :: 120.17(4.64) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.6016156 CA :: 61.84876386 CB :: 40.90671271 CG1 :: 26.64084107 CG2 :: 17.61756181 CD1 :: 13.05679293 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 :: 10.06881517 HA :: 4.344179753 HB :: 1.825797701 HG12 :: 0.9667532445 HG13 :: 1.344359996 HG21 :: 0.8962045698 HG22 :: 0.8962045698 HG23 :: 0.8962045698 HD11 :: 0.7673638773 HD12 :: 0.7673638773 HD13 :: 0.7673638773 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 :: 119.8115791 Ave N Shift Values>> N :: 121.46(4.28) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.38 C 0.1 C Shift Assignments>> C :: 175.6670749 CA :: 53.77954764 CB :: 40.10075087 CG :: 177.1511119 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 :: 9.605868432 HA :: 4.97063644 HB2 :: 2.57134112 HB3 :: 2.877188077 HD21 :: 6.951663349 HD22 :: 7.683190984 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 :: 123.3826242 ND2 :: 113.2098544 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.0695379 CA :: 63.61066875 CB :: 69.37977622 CG2 :: 21.65711178 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 :: 8.319965049 HA :: 4.205021162 HB :: 4.150741861 HG21 :: 1.219255292 HG22 :: 1.219255292 HG23 :: 1.219255292 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 :: 118.8267775 Ave N Shift Values>> N :: 115.42(4.75) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 K 0.1 G 0.03 C Shift Assignments>> C :: 175.5009229 CA :: 55.99271889 CB :: 31.38406179 CG :: 26.96281152 CD :: 42.94414028 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 :: 8.619622842 HA :: 4.293480082 HB2 :: 1.712455585 HB3 :: 1.847752685 HG2 :: 1.600925173 HG3 :: 1.600925173 HD2 :: 3.168588827 HD3 :: 3.168588827 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 :: 126.2529818 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.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.26 L 0.14 F 0.1 Y 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 174.6893293 CA :: 53.86487702 CB :: 40.13183667 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 :: 8.226245941 HA :: 4.465263673 HB2 :: 2.56562505 HB3 :: 2.606309464 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 :: 118.2018769 Ave N Shift Values>> N :: 120.65(3.86) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 174.082686 CA :: 58.7245054 CB :: 38.61420785 CG1 :: 27.89024751 CG2 :: 17.10748983 CD1 :: 13.7566208 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 :: 7.680020577 HA :: 3.502352269 HB :: 1.424651941 HG12 :: 0.6706667791 HG13 :: 1.300359087 HG21 :: 0.5566857296 HG22 :: 0.5566857296 HG23 :: 0.5566857296 HD11 :: 0.7701466724 HD12 :: 0.7701466724 HD13 :: 0.7701466724 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 :: 121.4035444 Ave N Shift Values>> N :: 121.46(4.28) 1.P24 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 175.2314694 CA :: 62.5145328 CB :: 32.10021566 CG :: 26.24319818 CD :: 49.64421378 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 :: 4.05442602 HB2 :: 1.25156948 HB3 :: 1.958618925 HG2 :: 1.822097314 HG3 :: 1.982922066 HD2 :: 1.453096705(S) HD3 :: 2.425096352 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (HD2 > HG3 : 0.9949) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 C Shift Assignments>> C :: 178.4936482 CA :: 52.71606158 CB :: 18.25246589 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.859767999 HA :: 3.996576427 HB1 :: 1.229004021 HB2 :: 1.229004021 HB3 :: 1.229004021 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4236431 Ave N Shift Values>> N :: 123.23(3.54) 1.N26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 N 0.32 Q 0.09 E 0.06 D 0.03 C Shift Assignments>> C :: 181.0463298 CA :: 54.41990786 CB :: 36.08158252 CG :: 178.2575298 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 :: 8.63183065 HA :: 3.714626382 HB2 :: 1.000132438(S) HB3 :: 2.230961331 HD21 :: 6.776647603 HD22 :: 6.973992556 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 :: 112.6943996 ND2 :: 115.3580878 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>> L 0.39 P 0.27 C 0.17 K 0.09 A 0.02 R 0.01 C Shift Assignments>> C :: 176.3284796 CA :: 50.77354375 CB :: 24.55943259 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.062081712 HA :: 5.058495673 HB1 :: 1.170184759 HB2 :: 1.170184759 HB3 :: 1.170184759 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.4614412 Ave N Shift Values>> N :: 123.23(3.54) 1.G28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 171.206 CA :: 43.45394679 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.744296039 HA2 :: 2.261445529(S) HA3 :: 4.26014791 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.0353343 Ave N Shift Values>> N :: 109.67(3.87) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.21 K 0.17 F 0.13 Y 0.1 C 0.06 N 0.03 R 0.02 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 171.900466 CA :: 55.74791494 CB :: 41.31747551 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.575485847 HA :: 5.467563233 HB2 :: 2.567603108 HB3 :: 3.283225027 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 :: 121.8260975 Ave N Shift Values>> N :: 120.17(4.64) 1.F30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> K 0.23 L 0.18 R 0.15 F 0.14 Y 0.1 D 0.07 C 0.07 I 0.01 C Shift Assignments>> CA :: 57.47726479 CB :: 42.26404338 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 :: 9.145876748 HA :: 4.360973205 HB2 :: 0.8217925763(S) HB3 :: 1.478228771(S) 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 :: 134.995964(S) Ave N Shift Values>> N :: 120.45(4.18) 1.R31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.3 G 0.19 K 0.05 C Shift Assignments>> C :: 174.7241712 CA :: 53.499424 CB :: 32.31835679 CG :: 27.56234021 CD :: 43.70894643 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 :: 7.200447739 HA :: 4.871756905 HB2 :: 0.8573378649(S) HB3 :: 1.024845227 HD2 :: 3.013357951 HD3 :: 3.311337568 HE :: 7.213992243 HH11 :: 6.511626237 HH12 :: 6.511626237 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 :: 127.451736 NE :: 85.9640000 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.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.9039331 CA :: 58.57052119 CB :: 39.73422497 CD1 :: 133.8103109 CD2 :: 133.8103109 CE1 :: 118.3036813 CE2 :: 118.3036813 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 :: 9.059103937 HA :: 4.353312926 HB2 :: 3.114576156 HB3 :: 3.399974892 HD1 :: 7.394854522 HD2 :: 7.394854522 HE1 :: 7.076592604 HE2 :: 7.076592604 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 :: 126.5081487 Ave N Shift Values>> N :: 120.52(4.2) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.1 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 177.0222076 CA :: 57.5120893 CB :: 40.26728265 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 :: 9.372346893 HA :: 4.330553121 HB2 :: 2.742949134 HB3 :: 2.742949134 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.3553809 Ave N Shift Values>> N :: 120.65(3.86) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 C 0.18 D 0.03 C Shift Assignments>> C :: 176.517461 CA :: 52.79624526 CB :: 37.20608354 CG :: 176.2046164 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 :: 7.792675244 HA :: 4.53631069 HB2 :: 2.820969491 HB3 :: 3.234601809 HD21 :: 6.414115515 HD22 :: 7.398603965 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 :: 113.7882594 ND2 :: 108.4871704 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 HN Overlap>> 1.G10 1.G10 C Shift Assignments>> C :: 173.9697919 CA :: 44.86231747 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.299822974 HA2 :: 3.432492577 HA3 :: 4.387202147 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9083429 Ave N Shift Values>> N :: 109.67(3.87) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.16 C 0.15 C Shift Assignments>> C :: 174.0626728 CA :: 53.60889047 CB :: 38.42352206 CG :: 176.8635077 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 :: 8.131512636 HA :: 4.656897915 HB2 :: 2.867519937 HB3 :: 2.911549734 HD21 :: 7.003866815 HD22 :: 7.628284513 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 :: 120.1035441 ND2 :: 112.8537819 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 N 0.21 E 0.19 Y 0.12 M 0.08 F 0.08 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 176.1593321 CA :: 54.98744192 CG :: 36.9698278 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 :: 8.450419812 HA :: 5.547439347 HB2 :: 1.782713652 HB3 :: 1.979416108 HG2 :: 2.131800323 HG3 :: 2.611057151 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 :: 120.1607717 Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 M 0.01 E 0.01 C Shift Assignments>> C :: 173.6701364 CA :: 54.8854544 CB :: 35.7178304(S) CG :: 36.17789259 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 :: 8.755127686 HA :: 4.854655784 HB2 :: 2.292520091 HB3 :: 2.292520091 HG2 :: 2.485383358 HG3 :: 2.485383358 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.1052696 Ave N Shift Values>> N :: 120.67(3.48) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 175.1038434 CA :: 53.65445774 CB :: 33.82584125 CD1 :: 128.1619159 CE3 :: 120.5439995 CZ2 :: 115.1011004 CZ3 :: 121.7108101 CH2 :: 123.820239 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 :: 8.430984792 HA :: 6.328612826 HB2 :: 2.614369087 HB3 :: 3.276145504 HD1 :: 7.111925656 HE1 :: 10.18222903 HE3 :: 7.007662169 HZ2 :: 7.479769414 HZ3 :: 6.881414759 HH2 :: 6.874295682 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 :: 119.9165836 NE1 :: 130.0319711 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R40 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.62 K 0.26 G 0.06 R 0.04 HN Overlap>> 1.N64 1.N64 C Shift Assignments>> C :: 175.3072471 CA :: 54.87952374 CB :: 36.07420689 CG :: 28.1361976 CD :: 42.70016696 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 :: 8.940700884 HA :: 4.544903012 HB2 :: 0.9981361643 HB3 :: 1.808627016 HG2 :: 1.047221437 HG3 :: 1.047221437 HD2 :: 2.750830995 HD3 :: 2.750830995 HH11 :: 6.699186339 HH12 :: 6.699186339 HH21 :: 6.885806526 HH22 :: 6.885806526 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.2554372 NH1 :: 86.38800000 NH2 :: 70.09400000(A) 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.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.22 E 0.17 M 0.1 Y 0.08 F 0.05 K 0.02 D 0.02 C Shift Assignments>> C :: 173.5551952 CA :: 54.18630287 CB :: 36.69638497 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.113611441 HA :: 4.997236036 HB2 :: 2.662737364 HB3 :: 3.083655132 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 :: 119.2525769 Ave N Shift Values>> N :: 120.17(4.64) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.27 A 0.16 R 0.02 C Shift Assignments>> C :: 175.5946334 CA :: 54.49483491 CB :: 41.2766977 CG :: 27.42207612 CD1 :: 25.75451847 CD2 :: 21.93248602 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 :: 8.27772005 HA :: 4.36289961 HB2 :: 1.45935221 HB3 :: 1.829865286 HG :: 1.160157438 HD11 :: 0.7290148242 HD12 :: 0.7290148242 HD13 :: 0.7290148242 HD21 :: 0.7290148242 HD22 :: 0.7290148242 HD23 :: 0.7290148242 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.1794947 Ave N Shift Values>> N :: 121.86(3.9) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.45 A 0.04 C Shift Assignments>> C :: 179.6866962 CA :: 56.48269836 CB :: 41.48414246 CG :: 26.25496982 CD1 :: 22.29464516 CD2 :: 22.29464516 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 :: 8.442652843 HA :: 4.34390766 HB2 :: 1.381987934 HB3 :: 1.83978474 HG :: 1.025352806 HD11 :: 0.7451031186 HD12 :: 0.7451031186 HD13 :: 0.7451031186 HD21 :: 0.7451031186 HD22 :: 0.7451031186 HD23 :: 0.7451031186 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 :: 116.4902276 Ave N Shift Values>> N :: 121.86(3.9) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.3374989 CA :: 44.58892366 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.282042474 HA2 :: 3.249473106 HA3 :: 4.128279186 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8338686 Ave N Shift Values>> N :: 109.67(3.87) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 174.2926302 CA :: 57.01795698 CB :: 41.53861927 CD1 :: 133.1520296 CD2 :: 133.1520296 CE1 :: 117.8702209 CE2 :: 117.8702209 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 :: 8.592680612 HA :: 5.092599186 HB2 :: 2.598820173 HB3 :: 3.360357135 HD1 :: 6.641016587 HD2 :: 6.641016587 HE1 :: 6.662512939 HE2 :: 6.662512939 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 :: 119.6926782 Ave N Shift Values>> N :: 120.52(4.2) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.32 K 0.27 G 0.02 C Shift Assignments>> C :: 174.9114192 CA :: 54.15313977 CB :: 36.00607586 CG :: 25.45430116 CD :: 29.73849734 CE :: 42.41023521 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.913576741 HA :: 4.839948295 HB2 :: 1.69832054 HB3 :: 1.845673246 HD2 :: 1.677347439 HD3 :: 1.677347439 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 :: 119.3305895 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 C 0.19 M 0.18 K 0.14 V 0.14 P 0.02 R 0.02 H 0.02 W 0.01 HN Overlap>> 1.I86 1.I86 C Shift Assignments>> C :: 177.3777602 CB :: 33.65976702 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 :: 8.778194614 HA :: 4.923940652 HB2 :: 1.88099131 HB3 :: 1.88099131 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 :: 125.2495922 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.12 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.518958 CA :: 53.41344379 CB :: 41.36109232 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 :: 9.132961813 HA :: 4.837901732 HB2 :: 2.434390327 HB3 :: 2.641444759 HD21 :: 7.061973702 HD22 :: 7.440987787 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 :: 125.4721033 ND2 :: 113.1716047 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.47 D 0.13 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 173.1687164 CA :: 53.82132076 CB :: 38.37367392 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>> HA :: 5.051111493 HB2 :: 3.134043162 HB3 :: 2.910613713 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) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.31 C Shift Assignments>> C :: 172.4149918 CA :: 60.04773071 CB :: 72.26382379 CG2 :: 21.59391259 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 :: 7.811377214 HA :: 4.584433851 HB :: 4.154170545 HG21 :: 1.209560489 HG22 :: 1.209560489 HG23 :: 1.209560489 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 :: 109.777291 Ave N Shift Values>> N :: 115.42(4.75) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.26 K 0.16 F 0.07 R 0.06 Y 0.05 C 0.04 N 0.04 C Shift Assignments>> C :: 174.2485778 CA :: 54.46559556 CB :: 41.87804428 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.919293614 HA :: 5.451526467 HB2 :: 2.629778142 HB3 :: 3.007103749 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 :: 119.7656996 Ave N Shift Values>> N :: 120.17(4.64) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 175.6563306 CA :: 59.06119468 CB :: 41.331902 CG1 :: 26.04254373 CG2 :: 17.88003863 CD1 :: 13.66496454 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 :: 9.267834807 HA :: 4.931306455 HB :: 2.073787477 HG12 :: 1.114031601 HG13 :: 1.421205088 HG21 :: 1.02534652 HG22 :: 1.02534652 HG23 :: 1.02534652 HD11 :: 0.8662215424 HD12 :: 0.8662215424 HD13 :: 0.8662215424 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 :: 119.4838206 Ave N Shift Values>> N :: 121.46(4.28) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.18 M 0.05 K 0.04 Q 0.02 C Shift Assignments>> C :: 175.153401 CB :: 30.05918808 CG :: 36.69309501 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 :: 9.05819514 HA :: 3.491857144 HB2 :: 1.788551147 HB3 :: 1.888891241 HG2 :: 2.008169534 HG3 :: 2.107051563 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.6547227 Ave N Shift Values>> N :: 120.67(3.48) 1.D55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.16 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 175.2616368 CA :: 51.718618 CB :: 41.64141979 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 :: 8.320107975 HA :: 4.603167673 HB2 :: 1.803134482(S) HB3 :: 2.46515709 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.6575642 Ave N Shift Values>> N :: 120.65(3.86) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6137567 CA :: 59.43291565 CB :: 63.6794737 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.475196825 HA :: 4.239673845 HB2 :: 3.854045037 HB3 :: 3.945766947 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.2343048 Ave N Shift Values>> N :: 116.28(3.52) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.49 N 0.43 C 0.07 C Shift Assignments>> C :: 180.1126547 CA :: 52.05921426 CB :: 40.00937833 CG :: 178.3454385 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 :: 8.403932516 HA :: 5.014297635 HB2 :: 2.400176214 HB3 :: 2.728758303 HD21 :: 6.735440144 HD22 :: 7.497655785 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 :: 118.6014894 ND2 :: 111.9975906 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P58 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 :: 176.9042744 CA :: 63.60833882 CB :: 32.16398283 CG :: 27.78119575 CD :: 49.43043519 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 :: 4.491683683 HB2 :: 2.068526946 HB3 :: 1.696731563 HG2 :: 1.98260278 HG3 :: 1.818040741 HD2 :: 3.295874405 HD3 :: 3.428501527 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.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 174.4761454 CA :: 59.58311627 CB :: 71.51691998 CG2 :: 21.38828646 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 :: 8.843963031 HA :: 4.533411562 HB :: 4.248593287 HG21 :: 1.136043319 HG22 :: 1.136043319 HG23 :: 1.136043319 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 :: 113.0354964 Ave N Shift Values>> N :: 115.42(4.75) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.23 M 0.11 Y 0.11 N 0.1 F 0.06 K 0.03 I 0.01 Q 0.01 D 0.01 HN Overlap>> 1.E77 1.E77 1.N95 1.N95 C Shift Assignments>> C :: 176.257094 CA :: 55.57957191 CB :: 36.58423969 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.541605364 HA :: 4.430535212 HB2 :: 2.629132895 HB3 :: 3.045319626 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 :: 120.8920226 Ave N Shift Values>> N :: 120.17(4.64) 1.G61 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 :: 173.0813286 CA :: 45.69339322 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.167678718 HA2 :: 3.730415884 HA3 :: 4.115224229 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.3295298 Ave N Shift Values>> N :: 109.67(3.87) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.22 C 0.07 C Shift Assignments>> C :: 175.0091386 CA :: 51.9777009 CB :: 39.9435949 CG :: 176.553051 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 :: 7.353771299 HA :: 5.014099452 HB2 :: 2.580250787 HB3 :: 2.844924742 HD21 :: 6.841955949 HD22 :: 7.61891452 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 :: 118.1820967 ND2 :: 112.7397539 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.28 D 0.2 E 0.03 C Shift Assignments>> C :: 175.9768843 CA :: 53.99733124 CB :: 37.56070522 CG :: 178.637442 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 :: 9.435697808 HA :: 4.408217492 HB2 :: 2.431747692 HB3 :: 3.219669422 HD21 :: 6.995728379 HD22 :: 7.838089895 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 :: 124.6641925 ND2 :: 112.4594467 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.2 HN Overlap>> 1.R40 1.R40 C Shift Assignments>> C :: 175.9465843 CB :: 39.28031693 CG :: 176.7021619 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 :: 8.993236035 HA :: 4.80415596 HB2 :: 2.2273853 HB3 :: 3.227561631 HD21 :: 6.467021634 HD22 :: 7.113732373 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 :: 119.2965266 ND2 :: 111.6470911 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G65 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 :: 172.5790477 CA :: 46.60530641 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.626439049 HA2 :: 3.597678928 HA3 :: 4.061402245 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5559902 Ave N Shift Values>> N :: 109.67(3.87) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.4640481 CA :: 44.44049603 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.032595175 HA2 :: 3.445182948 HA3 :: 4.493212924 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.9704479 Ave N Shift Values>> N :: 109.67(3.87) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.17 E 0.07 Y 0.06 M 0.06 F 0.04 D 0.03 C Shift Assignments>> C :: 174.0547093 CA :: 53.17709849 CB :: 37.10874183 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.82570361 HA :: 4.277297885 HB2 :: 2.769156538 HB3 :: 3.081895671 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 :: 119.311561 Ave N Shift Values>> N :: 120.17(4.64) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.7746359 CB :: 44.54522137 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 :: 8.705368935 HA :: 4.36887378 HB2 :: 2.285315587 HB3 :: 2.442372009 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 :: 123.770598 Ave N Shift Values>> N :: 120.65(3.86) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.6016262 CA :: 65.86000000 CB :: 32.82800092 CG :: 27.56595078 CD :: 50.96238998 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 :: 4.145037502 HB2 :: 2.433467006 HB3 :: 1.932023033 HG2 :: 2.06315577 HD2 :: 3.595768194 HD3 :: 3.784123328 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.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.9128434 CA :: 62.35497926 CB :: 70.11972405 CG2 :: 21.49445921 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.049146688 HA :: 4.330483116 HB :: 4.370611701 HG21 :: 1.250621848 HG22 :: 1.250621848 HG23 :: 1.250621848 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 :: 107.726163 Ave N Shift Values>> N :: 115.42(4.75) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 179.357139 CA :: 51.18000404 CB :: 20.05874004 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.182214558 HA :: 4.600537337 HB1 :: 1.399895062 HB2 :: 1.399895062 HB3 :: 1.399895062 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.237777 Ave N Shift Values>> N :: 123.23(3.54) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.2138442 CA :: 45.12182633 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.175091475 HA2 :: 3.644554355 HA3 :: 4.337447421 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7616274 Ave N Shift Values>> N :: 109.67(3.87) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.18 N 0.18 C 0.16 D 0.1 L 0.04 E 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 173.7185041 CA :: 55.76894783 CB :: 38.43512227 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.379935674 HA :: 5.229467256 HB2 :: 2.363440724 HB3 :: 2.704572815 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 :: 123.6602855 Ave N Shift Values>> N :: 120.17(4.64) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.39 Q 0.06 E 0.03 C Shift Assignments>> CA :: 55.46494569 CB :: 33.6557538 CG :: 34.25100301 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 :: 8.837724457 HA :: 4.711046017 HB2 :: 2.00485983 HB3 :: 2.090693932 HG2 :: 2.242007088 HG3 :: 2.40888914 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 :: 129.1106629 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 174.5151631 CA :: 60.90058674 CB :: 70.42485366 CG2 :: 22.37935379 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 :: 8.423173771 HA :: 4.988371328 HB :: 4.169486506 HG21 :: 1.24141278 HG22 :: 1.24141278 HG23 :: 1.24141278 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 :: 114.2111454 Ave N Shift Values>> N :: 115.42(4.75) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.05 C 0.03 M 0.01 C Shift Assignments>> C :: 176.8288335 CA :: 51.38125981 CB :: 20.84777667 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.586199636 HA :: 4.467105748 HB1 :: 1.310990862 HB2 :: 1.310990862 HB3 :: 1.310990862 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8681309 Ave N Shift Values>> N :: 123.23(3.54) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.08 K 0.08 Q 0.07 I 0.02 HN Overlap>> 1.C60 1.C60 C Shift Assignments>> C :: 176.1647828 CA :: 56.49800000 CB :: 30.07227652 CG :: 36.14446921 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 :: 8.525087368 HA :: 4.320475526 HB2 :: 1.91444033 HB3 :: 2.029470622 HG2 :: 2.240846217 HG3 :: 2.240846217 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 :: 120.9059526 Ave N Shift Values>> N :: 120.67(3.48) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.28 L 0.09 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.837175 CA :: 53.26627172 CB :: 39.72028678 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 :: 8.30900469 HA :: 4.655330074 HB2 :: 2.712361858 HB3 :: 2.764370519 HD21 :: 6.993617246 HD22 :: 7.645904231 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 :: 119.7037558 ND2 :: 113.2621823 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 K 0.06 G 0.06 C Shift Assignments>> C :: 176.5591958 CA :: 56.53082565 CB :: 30.90340994 CG :: 27.13251836 CD :: 43.31870825 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 :: 8.259743363 HA :: 4.293336221 HB2 :: 1.771881711 HB3 :: 1.862591194 HG2 :: 1.624521326 HG3 :: 1.624521326 HD2 :: 3.186757471 HD3 :: 3.186757471 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 :: 120.379695 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.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 K 0.08 M 0.05 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.8694814 CA :: 56.69480616 CB :: 29.71404692 CG :: 36.43194961 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 :: 8.638435918 HA :: 4.248325288 HB2 :: 1.925551539 HB3 :: 2.05000697 HG2 :: 2.255987175 HG3 :: 2.255987175 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 :: 119.8651792 Ave N Shift Values>> N :: 120.67(3.48) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.23 D 0.18 C Shift Assignments>> C :: 175.6180359 CA :: 54.97101123 CB :: 38.55018918 CG :: 176.8307573 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 :: 8.462937236 HA :: 4.427129753 HB2 :: 2.85325778 HB3 :: 2.85325778 HD21 :: 6.932157713 HD22 :: 7.665213869 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 :: 119.6788356 ND2 :: 113.1508011 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2917092 CA :: 59.28575641 CB :: 63.59154875 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.194536532 HA :: 4.2341336 HB2 :: 3.884291602 HB3 :: 3.933434273 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 :: 113.1801377 Ave N Shift Values>> N :: 116.28(3.52) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.35 R 0.14 C Shift Assignments>> C :: 175.9397844 CA :: 55.4802014 CB :: 32.84335716 CG :: 24.79350706 CD :: 28.89749312 CE :: 42.12086673 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 :: 7.989240301 HA :: 4.527959617 HB2 :: 1.63965236 HB3 :: 1.92991547 HG2 :: 1.444904195 HG3 :: 1.444904195 HE2 :: 2.987933206 HE3 :: 2.987933206 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 :: 120.9436191 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.25 G 0.02 C Shift Assignments>> C :: 175.1369431 CA :: 57.40543031 CB :: 34.04843687 CG :: 25.49316907 CD :: 29.62440092 CE :: 42.70856611 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 :: 7.843175498 HA :: 4.32652719 HB2 :: 1.756185995 HB3 :: 1.920974167 HG2 :: 1.525568532 HG3 :: 1.525568532 HD2 :: 1.675424975 HD3 :: 1.675424975 HE2 :: 3.00511505 HE3 :: 3.00511505 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 :: 119.8367303 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.09 I 0.04 C Shift Assignments>> C :: 174.8404246 CA :: 57.80723828 CB :: 39.06654867 CG1 :: 23.96688724 CG2 :: 18.58820317 CD1 :: 9.816934644 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 :: 7.513270503 HA :: 4.561247547 HB :: 1.88901717 HG12 :: 1.712121402 HG13 :: 1.332994748 HG21 :: 0.9656722247 HG22 :: 0.9656722247 HG23 :: 0.9656722247 HD11 :: 0.5250911361 HD12 :: 0.5250911361 HD13 :: 0.5250911361 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.8638423 Ave N Shift Values>> N :: 121.46(4.28) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 175.6588515 CA :: 60.26243467 CB :: 40.24842811 CG1 :: 27.27474637 CG2 :: 17.46774382 CD1 :: 13.10668476 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 :: 8.777488193 HA :: 4.146344425 HB :: 1.563396277 HG12 :: 0.9982685276 HG13 :: 1.34853435 HG21 :: 0.7659900631 HG22 :: 0.7659900631 HG23 :: 0.7659900631 HD11 :: 0.7381821948 HD12 :: 0.7381821948 HD13 :: 0.7381821948 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 :: 125.2581201 Ave N Shift Values>> N :: 121.46(4.28) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 175.7478777 CA :: 51.88654172 CB :: 39.01342776 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.112713601 HA :: 5.699513876 HB2 :: 2.797793317 HB3 :: 3.330419062 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 :: 128.5276069 Ave N Shift Values>> N :: 120.17(4.64) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.7624885 CA :: 60.98942707 CB :: 70.61944048 CG2 :: 21.30119842 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.108257295 HA :: 4.608010434 HB :: 3.875018566 HG21 :: 1.201490159 HG22 :: 1.201490159 HG23 :: 1.201490159 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 :: 118.9618138 Ave N Shift Values>> N :: 115.42(4.75) 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 F 0.14 N 0.14 E 0.13 D 0.04 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 173.5733705 CA :: 55.91944065 CB :: 37.66104436 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.31346575 HA :: 4.557278442 HB2 :: 2.390372688 HB3 :: 4.008692423 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 129.0609796 Ave N Shift Values>> N :: 120.17(4.64) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.38 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 175.4678894 CA :: 54.43239807 CB :: 36.1883549 CG :: 24.34254803 CD :: 29.51931422 CE :: 42.2163968 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 :: 8.926218618 HA :: 4.652569453 HB2 :: 1.694540279 HB3 :: 1.888227136 HG2 :: 1.186008726 HG3 :: 1.243360618 HD2 :: 1.476686879 HD3 :: 1.476686879 HE2 :: 2.978163856 HE3 :: 2.978163856 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 :: 121.4627212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 E 0.22 K 0.21 R 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 175.5451769 CA :: 56.41149327 CB :: 28.79571049 CG :: 35.01631059 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 :: 8.713657806 HA :: 3.947861431 HB2 :: 1.79242677 HB3 :: 2.002469967 HG2 :: 2.312410325 HG3 :: 2.388371828 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 :: 120.7050588 Ave N Shift Values>> N :: 120.67(3.48) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 P 0.39 C Shift Assignments>> C :: 175.2867311 CA :: 63.97446089 CB :: 33.25943694 CG :: 24.75828831 CD :: 49.94218955 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 :: 5.159850445 HB2 :: 2.568896921 HB3 :: 2.233802293 HG2 :: 1.748986433 HG3 :: 2.081955934 HD2 :: 3.545214535 HD3 :: 3.645696146 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.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.33 A 0.15 C Shift Assignments>> C :: 172.5715712 CA :: 57.52647145 CB :: 68.65773005 CG2 :: 20.5014848 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 :: 8.922291871 HA :: 4.610602845 HB :: 3.939901632 HG21 :: 1.060508397 HG22 :: 1.060508397 HG23 :: 1.060508397 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.4948135 Ave N Shift Values>> N :: 115.42(4.75) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.5760964 CA :: 64.58622673 CB :: 32.98311239 CG :: 26.13753813 CD :: 49.78095553 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 :: 3.71893924 HB2 :: 2.064744296 HB3 :: 1.61286141 HG2 :: 1.106866136 HG3 :: 1.425024831 HD2 :: 3.077081536 HD3 :: 3.689604492 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.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.38 C 0.09 HN Overlap>> 1.C60 1.C60 C Shift Assignments>> C :: 172.2257263 CA :: 53.42360434 CB :: 39.69843662 CG :: 177.6399106 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 :: 8.638106612 HA :: 4.600341586 HB2 :: 2.248837652 HB3 :: 2.890383003 HD21 :: 7.29380824 HD22 :: 7.936022951 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 :: 120.9225381 ND2 :: 117.3674498 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.03 M 0.03 C 0.03 C Shift Assignments>> CA :: 52.22422836 CB :: 20.35841401 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.402068507 HA :: 4.976501924 HB1 :: 1.242844259 HB2 :: 1.242844259 HB3 :: 1.242844259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.3411919 Ave N Shift Values>> N :: 123.23(3.54) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 177.1445114 CA :: 57.10302074 CB :: 40.39104786 CD1 :: 133.9580278 CD2 :: 133.9580278 CE1 :: 117.7345227 CE2 :: 117.7345227 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 :: 8.796162617 HA :: 4.574319861 HB2 :: 2.545840547 HB3 :: 2.720691805 HD1 :: 6.905618307 HD2 :: 6.905618307 HE1 :: 6.597994125 HE2 :: 6.597994125 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 :: 120.8434477 Ave N Shift Values>> N :: 120.52(4.2) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.42 H 0.01 C Shift Assignments>> C :: 177.3609347 CA :: 59.21954929 CB :: 35.71892142 CD1 :: 133.2871437 CD2 :: 133.2871437 CE1 :: 118.2816008 CE2 :: 118.2816008 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 :: 9.567488212 HA :: 4.30621905 HB2 :: 3.312620564 HB3 :: 3.312620564 HD1 :: 7.201091737 HD2 :: 7.201091737 HE1 :: 6.942764286 HE2 :: 6.942764286 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 :: 124.2258606 Ave N Shift Values>> N :: 120.52(4.2) 1.D99 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 L 0.11 C 0.11 N 0.11 I 0.02 C Shift Assignments>> C :: 175.0005597 CA :: 55.93114786 CB :: 39.7606194 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 :: 9.028716734 HA :: 4.281351689 HB2 :: 3.010216533 HB3 :: 3.010216533 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 :: 112.6548262 Ave N Shift Values>> N :: 120.65(3.86) 1.G100 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 :: 173.8178829 CA :: 45.53991211 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.548148845 HA2 :: 3.380908354 HA3 :: 4.122093883 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.2934035 Ave N Shift Values>> N :: 109.67(3.87) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.3948136 CA :: 66.01053986 CB :: 33.59727584 CG1 :: 22.6890969 CG2 :: 24.61868409 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 :: 7.416713794 HA :: 3.763711153 HB :: 2.11025659 HG11 :: 0.6235025637 HG12 :: 0.6235025637 HG13 :: 0.6235025637 HG21 :: 1.330817831 HG22 :: 1.330817831 HG23 :: 1.330817831 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 :: 122.5313097 Ave N Shift Values>> N :: 121.14(4.54) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.23 K 0.16 F 0.1 D 0.08 Y 0.07 C 0.05 G 0.01 C Shift Assignments>> C :: 174.8160534 CA :: 56.77957442 CB :: 42.72189669 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 :: 7.887998267 HA :: 4.931454782 HB2 :: 1.966254943 HB3 :: 2.113989303 HD1 :: 7.028357875 HD2 :: 7.028357875 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 :: 111.6495374 Ave N Shift Values>> N :: 120.45(4.18) 1.C103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.16 K 0.07 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 173.6406123 CA :: 52.73940469 CB :: 41.3250171 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.775204982 HA :: 5.689961609 HB2 :: 2.251473829 HB3 :: 3.965198178 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 :: 119.4414529 Ave N Shift Values>> N :: 120.17(4.64) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 176.7079771 CA :: 46.3765264 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.434045591 HA2 :: 3.505624113 HA3 :: 4.346016589 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.0549435 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 103 #Suspicious: 1 C Shift Results: #Consistent: 404 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 620 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.P24 HD2 = 1.453096705(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.4546e-10 1.P24 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P24 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.N26 HB2 = 1.000132438(S), Expected = 2.81, Std = 0.3100, ChiSquare = 5.2742e-09 1.G28 HA2 = 2.261445529(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.8799e-06 1.F30 HB2 = 0.8217925763(S), Expected = 3.00, Std = 0.3700, ChiSquare = 3.9316e-09 1.F30 HB3 = 1.478228771(S), Expected = 2.93, Std = 0.4000, ChiSquare = 2.8405e-04 1.F30 N = 134.995964(S), Expected = 120.45, Std = 4.1800, ChiSquare = 5.0161e-04 1.R31 HB2 = 0.8573378649(S), Expected = 1.79, Std = 0.2700, ChiSquare = 5.5171e-04 1.E38 CB = 35.7178304(S), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0500e-04 1.R40 NH2 = 70.09400000(A), Expected = 73.26, Std = 3.3200, ChiSquare = 3.4028e-01 1.D55 HB2 = 1.803134482(S), Expected = 2.72, Std = 0.2600, ChiSquare = 4.2124e-04