Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.4 C 0.33 M 0.1 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> CA :: 56.66066808 CB :: 30.26968604 CG :: 36.17731932 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>> HA :: 4.273812502 HB2 :: 1.896420915 HB3 :: 2.020741861 HG2 :: 2.212292943 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) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.22102479 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.478093004 HA2 :: 3.868983625 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1972179 Ave N Shift Values>> N :: 109.67(3.87) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 G 0.06 K 0.05 C Shift Assignments>> CA :: 55.87519989 CB :: 30.8970657 CG :: 26.96393018 CD :: 43.28009178 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 :: 8.19596188 HA :: 4.290801422 HB2 :: 1.68839567 HB3 :: 1.770768083 HG2 :: 1.542127166 HD2 :: 3.115030619 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.0014021 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.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 K 0.08 G 0.06 C Shift Assignments>> CA :: 56.21348411 CB :: 31.56023342 CG :: 27.22704037 CD :: 43.36129827 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 :: 8.599714783 HA :: 4.336375695 HB2 :: 1.716318522 HB3 :: 1.914570768 HG2 :: 1.589286501 HD2 :: 3.113712429 HD3 :: 3.194093258 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 :: 123.4698863 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.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.97532072 CB :: 63.7109506 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.499532209 HA :: 4.360257442 HB2 :: 3.79225145 HB3 :: 3.850640255 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 :: 116.7110721 Ave N Shift Values>> N :: 116.28(3.52) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.25 K 0.12 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 HN Overlap>> 1.K62 1.K62 C Shift Assignments>> CA :: 53.58237133 CB :: 41.64512117 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 :: 8.065342346 HA :: 4.645822307 HB2 :: 2.523559318 HB3 :: 3.123925866 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 :: 120.243283 Ave N Shift Values>> N :: 120.65(3.86) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 61.34004173 CB :: 71.85058545 CG2 :: 20.51924973 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 :: 7.650751655 HA :: 4.980428697 HB :: 3.767471363 HG21 :: 0.9221324498 HG22 :: 0.9221324498 HG23 :: 0.9221324498 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 :: 114.8542565 Ave N Shift Values>> N :: 115.42(4.75) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 W 0.16 I 0.13 V 0.11 E 0.08 R 0.06 H 0.05 K 0.04 Q 0.04 P 0.03 M 0.01 C Shift Assignments>> CA :: 60.95855474 CB :: 30.11103801 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.281813296 HA :: 4.245072357 HB2 :: 2.878860873 HB3 :: 3.405421771 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 :: 128.62323 Ave N Shift Values>> N :: 120.17(4.64) 1.E10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.34 Q 0.19 K 0.17 E 0.17 I 0.06 R 0.03 C Shift Assignments>> CA :: 58.42260899 CB :: 28.0838384 CG :: 34.910449 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 :: 11.06870802(S) HA :: 4.131967214 HB2 :: 1.811256217 HB3 :: 1.890836345 HG3 :: 1.882728185 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 :: 134.4724398(S) Ave N Shift Values>> N :: 120.67(3.48) 1.Y11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 60.09535521 CB :: 36.97430502 CD1 :: 132.7658394 CD2 :: 132.7658394 CE1 :: 117.9754547 CE2 :: 117.9754547 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 :: 9.038208016 HA :: 4.265355603 HB2 :: 1.646320534(S) HB3 :: 2.203724712 HD1 :: 6.803831146 HD2 :: 6.803831146 HE1 :: 6.625085339 HE2 :: 6.625085339 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.1959827 Ave N Shift Values>> N :: 120.52(4.2) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.17 M 0.12 Q 0.09 R 0.09 W 0.08 H 0.07 V 0.07 E 0.05 C Shift Assignments>> CA :: 58.35639194 CB :: 32.73448753 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.981229421 HA :: 5.160462023 HB2 :: 2.846730447 HB3 :: 3.43869593 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 :: 114.8961276 Ave N Shift Values>> N :: 120.17(4.64) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.1456269 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.217617264 HA2 :: 3.671014415 HA3 :: 4.144549035 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.3508122 Ave N Shift Values>> N :: 109.67(3.87) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.36 R 0.2 C Shift Assignments>> CA :: 58.22844816 CB :: 34.18566872 CG :: 26.03403367 CD :: 29.27868023 CE :: 42.04711317 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 :: 7.914276779 HA :: 3.988953031 HB2 :: 1.247241111 HB3 :: 1.529713787 HG2 :: 0.8917664946 HG3 :: 1.35411671 HD2 :: 1.267525918 HD3 :: 1.419797368 HE2 :: 2.72957074 HE3 :: 2.807261447 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 :: 122.6891472 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> CA :: 61.61372685 CB :: 33.34126054 CG1 :: 21.24798227 CG2 :: 21.37296158 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 :: 7.892096084 HA :: 4.471991688 HB :: 1.638339598 HG11 :: 0.6905695714 HG12 :: 0.6905695714 HG13 :: 0.6905695714 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.241589 Ave N Shift Values>> N :: 121.14(4.54) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.43 G 0.01 C Shift Assignments>> CB :: 42.38919161 CD1 :: 132.094195 CD2 :: 132.094195 CE1 :: 130.3939185 CE2 :: 130.3939185 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 :: 8.895327352 HD1 :: 7.182412487 HD2 :: 7.182412487 HE1 :: 6.71177365 HE2 :: 6.71177365 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 :: 125.5506602 Ave N Shift Values>> N :: 120.45(4.18) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.13 C Shift Assignments>> CA :: 57.31005663 CB :: 32.81530984 CG :: 25.01747222 CD :: 28.88880685 CE :: 42.06096177 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 :: 8.678108715 HA :: 4.190416529 HB2 :: 1.760442245 HB3 :: 1.853432906 HG2 :: 1.388643899 HG3 :: 1.44470592 HD2 :: 1.617482427 HE2 :: 2.904899357 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 :: 121.2769863 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.918870296 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 :: 115.6891887 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.939714002 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 :: 123.2289689 Ave N Shift Values>> N :: 120.17(4.64) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 61.62320028 CB :: 64.45907389 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.483557531 HA :: 4.23027513 HB2 :: 3.954433893 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 :: 118.8874801 Ave N Shift Values>> N :: 116.28(3.52) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.17 Y 0.16 F 0.13 D 0.08 E 0.06 M 0.03 L 0.03 I 0.02 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> CA :: 55.06015627 CB :: 38.01690018 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 :: 8.038129245 HA :: 4.433292344 HB2 :: 2.877223535 HB3 :: 2.981522763 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 :: 119.4128799 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.28 C Shift Assignments>> CA :: 57.84650818 CB :: 40.37037642 CG :: 27.33803396 CD1 :: 22.54524667 CD2 :: 26.43785317 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 :: 7.441814525 HA :: 3.107519968 HB2 :: 1.195709551 HB3 :: 1.944320427 HG :: 1.360716034 HD11 :: 0.7942327937 HD12 :: 0.7942327937 HD13 :: 0.7942327937 HD21 :: 0.8202865236 HD22 :: 0.8202865236 HD23 :: 0.8202865236 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.8795203 Ave N Shift Values>> N :: 121.86(3.9) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 67.10857127 CB :: 68.78528502 CG2 :: 21.60993724 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 :: 8.156387689 HA :: 3.728215543 HG21 :: 1.164060697 HG22 :: 1.164060697 HG23 :: 1.164060697 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 :: 116.820506 Ave N Shift Values>> N :: 115.42(4.75) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 66.37862177 CB :: 32.09619475 CG1 :: 20.96868267 CG2 :: 22.41027404 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 :: 7.448386199 HA :: 3.484314792 HB :: 1.920490683 HG11 :: 0.8605442767 HG12 :: 0.8605442767 HG13 :: 0.8605442767 HG21 :: 0.995746029 HG22 :: 0.995746029 HG23 :: 0.995746029 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0803366 Ave N Shift Values>> N :: 121.14(4.54) 1.H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.47 H 0.04 HN Overlap>> 1.R91 1.R91 C Shift Assignments>> CA :: 59.69206916 CB :: 28.32658905 CD2 :: 127.5788152 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 :: 7.85303286 HA :: 4.111114821 HB2 :: 2.898265635 HD2 :: 6.950683768 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.9194189 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.22 R 0.07 K 0.03 C Shift Assignments>> CA :: 60.82778222 CB :: 30.77068016 CG :: 29.86271858 CD :: 43.78388519 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 :: 8.949084694 HA :: 3.800455223 HB2 :: 1.984519424 HB3 :: 2.019146741 HD2 :: 3.328061397 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 :: 120.605575 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.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.4 G 0.12 K 0.02 C Shift Assignments>> CA :: 58.31134114 CB :: 29.70439677 CG :: 27.91247988 CD :: 43.80777868 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 :: 7.245058342 HA :: 4.089086371 HB2 :: 1.801811602 HB3 :: 1.843887424 HG2 :: 1.60074833 HD2 :: 3.111979542 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.4402698 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.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.57970842 CB :: 62.94953188 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.739115432 HA :: 4.062213116 HB2 :: 3.586245511 HB3 :: 3.677145967 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6895479 Ave N Shift Values>> N :: 116.28(3.52) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 C 0.45 H 0.06 C Shift Assignments>> CA :: 55.5442763 CB :: 27.94396406 CD2 :: 128.418574 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 :: 7.138929713 HA :: 4.499210144 HB2 :: 2.147505115 HB3 :: 2.364942836 HD2 :: 6.498798999 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.2715367 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T30 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>> CA :: 62.37128508 CB :: 69.4504859 CG2 :: 21.25296446 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 :: 7.558464716 HA :: 4.123695907 HG21 :: 1.084561834 HG22 :: 1.084561834 HG23 :: 1.084561834 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 :: 111.6624395 Ave N Shift Values>> N :: 115.42(4.75) 1.G31 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>> CA :: 45.13101372 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.221736919 HA2 :: 3.788533756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4794825 Ave N Shift Values>> N :: 109.67(3.87) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 K 0.07 M 0.07 Q 0.05 I 0.04 HN Overlap>> 1.N21 1.N21 C Shift Assignments>> CA :: 57.04538989 CB :: 30.02224089 CG :: 36.37407721 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 :: 8.01919465 HA :: 4.075834384 HB2 :: 1.838323247 HB3 :: 2.123046565 HG2 :: 2.122947341 HG3 :: 2.163045105 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 :: 119.476216 Ave N Shift Values>> N :: 120.67(3.48) 1.R33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D96 1.D96 H Shift Assignments>> H :: 8.32927143 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 :: 120.5303471 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.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 63.67793655 CB :: 32.14066365 CG :: 26.62090642 CD :: 50.21228935 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 :: 4.145858479 HB2 :: 1.230067763 HB3 :: 1.860108197 HG2 :: 1.54718387 HG3 :: 1.742315769 HD2 :: 3.443617384 HD3 :: 3.485639274 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.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 58.05197783 CB :: 38.06499207 CD1 :: 132.8017239 CD2 :: 132.8017239 CE1 :: 118.0697187 CE2 :: 118.0697187 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.785706449 HA :: 4.460671482 HB2 :: 2.688499236 HB3 :: 2.969351344 HD1 :: 6.880114466 HD2 :: 6.880114466 HE1 :: 6.731471301 HE2 :: 6.731471301 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 :: 118.8358468 Ave N Shift Values>> N :: 120.52(4.2) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.37 R 0.07 G 0.01 C Shift Assignments>> CA :: 54.61722322 CB :: 35.01382772 CG :: 24.51602324 CD :: 28.97734205 CE :: 42.2599721 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 :: 8.297630107 HA :: 4.84272798 HB2 :: 1.577349956 HB3 :: 1.810702076 HG2 :: 1.277236418 HG3 :: 1.315354798 HD2 :: 1.549737713 HD3 :: 1.615838965 HE2 :: 2.892016528 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.4628671 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 E 0.11 R 0.09 V 0.09 H 0.08 I 0.05 Q 0.05 K 0.04 M 0.03 P 0.01 C Shift Assignments>> CA :: 60.11507494 CB :: 30.52418742 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.718330859 HA :: 4.314783157 HB2 :: 2.702329081 HB3 :: 3.306014383 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 :: 127.2754041 Ave N Shift Values>> N :: 120.17(4.64) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.4 M 0.08 I 0.05 K 0.03 Q 0.02 C Shift Assignments>> CA :: 57.96768595 CB :: 30.53318089 CG :: 36.60174596 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 :: 8.938493391 HA :: 4.28791002 HB2 :: 1.948019222 HB3 :: 2.116473563 HG2 :: 2.296465226 HG3 :: 2.343977869 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 :: 126.5101713 Ave N Shift Values>> N :: 120.67(3.48) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.29 R 0.06 A 0.03 G 0.03 C Shift Assignments>> CA :: 55.68368664 CB :: 42.80823236 CG :: 27.12077642 CD1 :: 25.04585986 CD2 :: 22.5487917 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 :: 9.698612276 HA :: 4.311714881 HB2 :: 0.7636949662 HB3 :: 0.9294407334 HG :: 1.310481089 HD11 :: 0.4657716192 HD12 :: 0.4657716192 HD13 :: 0.4657716192 HD21 :: 0.6150550246 HD22 :: 0.6150550246 HD23 :: 0.6150550246 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.5276382 Ave N Shift Values>> N :: 121.86(3.9) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.13 H 0.12 Q 0.09 K 0.06 M 0.05 V 0.02 I 0.02 C Shift Assignments>> CA :: 58.42841124 CB :: 30.36065492 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.035079299 HA :: 4.89911317 HB2 :: 3.041843281 HB3 :: 3.302377542 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 :: 120.4721683 Ave N Shift Values>> N :: 120.17(4.64) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.14 Y 0.1 D 0.1 F 0.09 E 0.03 L 0.02 M 0.02 HN Overlap>> 1.W87 1.W87 C Shift Assignments>> CA :: 54.02557121 CB :: 38.0388316 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 :: 8.080861002 HA :: 4.696849963 HB2 :: 2.883641405 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 :: 115.024925 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> CA :: 60.66978108 CB :: 40.06930211 CD1 :: 132.1836242 CD2 :: 132.1836242 CE1 :: 117.4786772 CE2 :: 117.4786772 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 :: 8.849459408 HA :: 3.995680367 HB2 :: 1.920954181 HB3 :: 2.725378394 HD1 :: 6.4257415 HD2 :: 6.4257415 HE1 :: 6.566754938 HE2 :: 6.566754938 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.8928517 Ave N Shift Values>> N :: 120.52(4.2) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.27 C 0.13 K 0.01 C Shift Assignments>> CA :: 50.22441789 CB :: 22.49454739 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.068298612 HA :: 5.020958916 HB1 :: 1.127764259 HB2 :: 1.127764259 HB3 :: 1.127764259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.4806627 Ave N Shift Values>> N :: 123.23(3.54) 1.C44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.000000315 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 :: 114.507268 Ave N Shift Values>> N :: 120.17(4.64) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.07 C 0.05 M 0.03 C Shift Assignments>> CA :: 53.09337665 CB :: 20.63161094 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.773182622 HA :: 4.697375788 HB1 :: 1.541515158 HB2 :: 1.541515158 HB3 :: 1.541515158 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4256732 Ave N Shift Values>> N :: 123.23(3.54) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.23 K 0.18 V 0.17 P 0.02 R 0.02 H 0.02 E 0.02 W 0.01 C Shift Assignments>> CB :: 33.90363379 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.194992824 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 :: 114.8128206 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.733815025 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.4353655 Ave N Shift Values>> N :: 116.28(3.52) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F74 1.F74 C Shift Assignments>> CA :: 60.86884464 CB :: 61.95255588 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.557364364 HA :: 4.093807885 HB2 :: 3.83774977 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 :: 115.9771984 Ave N Shift Values>> N :: 116.28(3.52) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.34 R 0.22 C Shift Assignments>> CA :: 58.79594871 CB :: 32.42406499 CG :: 26.1170306 CD :: 29.4778672 CE :: 42.19586321 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 :: 6.930136104 HA :: 4.095283219 HB2 :: 2.089358561 HB3 :: 2.144759229 HG2 :: 1.508637422 HG3 :: 1.57818972 HD2 :: 1.746232122 HE2 :: 2.996476963 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 :: 122.1472184 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.38 C Shift Assignments>> CA :: 57.77000469 CB :: 40.45453045 CG :: 27.1914958 CD1 :: 22.66940345 CD2 :: 25.78116158 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 :: 7.402684225 HA :: 4.27807507 HB2 :: 1.244508297 HB3 :: 2.067528546 HG :: 1.697553034 HD11 :: 0.9545772501 HD12 :: 0.9545772501 HD13 :: 0.9545772501 HD21 :: 0.9681334334 HD22 :: 0.9681334334 HD23 :: 0.9681334334 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.8988359 Ave N Shift Values>> N :: 121.86(3.9) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 66.89939577 CB :: 68.43763947 CG2 :: 22.10801753 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 :: 8.224323361 HA :: 3.777590051 HB :: 4.106474964 HG21 :: 1.145855475 HG22 :: 1.145855475 HG23 :: 1.145855475 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 :: 116.7028742 Ave N Shift Values>> N :: 115.42(4.75) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.08 K 0.03 C Shift Assignments>> CA :: 59.56149917 CB :: 30.0238602 CG :: 27.46168259 CD :: 43.41383701 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 :: 7.416597323 HA :: 3.94607107 HB2 :: 1.859270211 HG2 :: 1.556942944 HG3 :: 1.699050298 HD2 :: 3.130335104 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 :: 120.2616492 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.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.46 H 0.05 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> CA :: 59.45384787 CB :: 27.91243599 CD2 :: 127.3972215 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 :: 8.061224452 HA :: 4.002415188 HB2 :: 2.694038486 HB3 :: 3.376233469 HD2 :: 7.063816715 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.8773267 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.33 R 0.11 M 0.07 Q 0.06 C Shift Assignments>> CA :: 57.37826386 CB :: 31.24856873 CG :: 29.54951529 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 :: 8.640699145 HA :: 4.159527498 HB2 :: 2.877395081 HB3 :: 2.936181226 HG2 :: 2.138951951 HG3 :: 2.241810042 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 :: 118.6986435 Ave N Shift Values>> N :: 120.09(3.57) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> CA :: 58.6839035 CB :: 31.99585823 CG :: 25.16789483 CD :: 28.98325591 CE :: 42.09182947 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 :: 7.329650656 HA :: 4.071618287 HB2 :: 1.835424593 HG2 :: 1.440468689 HG3 :: 1.597243874 HD2 :: 1.610629091 HE2 :: 2.88097795 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 :: 118.5095892 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 63.74915544 CB :: 69.07524669 CG2 :: 20.79996843 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 :: 7.739708678 HA :: 4.018217236 HB :: 3.881079106 HG21 :: 0.9961470791 HG22 :: 0.9961470791 HG23 :: 0.9961470791 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 :: 110.0682808 Ave N Shift Values>> N :: 115.42(4.75) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.37 H 0.13 C Shift Assignments>> CA :: 55.71046817 CB :: 29.12101855 CD2 :: 127.3045448 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 :: 7.124186305 HA :: 4.63776318 HB2 :: 2.973723687 HB3 :: 3.128956903 HD2 :: 6.602576724 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.6835234 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G58 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>> CA :: 45.50953495 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.804047585 HA2 :: 3.910963141 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6982939 Ave N Shift Values>> N :: 109.67(3.87) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.23 M 0.06 E 0.06 R 0.03 C Shift Assignments>> CA :: 55.67847622 CB :: 29.41872672 CG :: 33.77755668 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 :: 8.156786344 HA :: 4.314585959 HB2 :: 1.852529312 HB3 :: 1.987605806 HG2 :: 2.225360874 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 :: 120.095017 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> CA :: 62.45723247 CB :: 32.68227788 CG1 :: 20.51260393 CG2 :: 21.17261643 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.193960637 HA :: 4.065761622 HB :: 2.020576846 HG11 :: 0.8601754394 HG12 :: 0.8601754394 HG13 :: 0.8601754394 HG21 :: 0.8675063862 HG22 :: 0.8675063862 HG23 :: 0.8675063862 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.8139286 Ave N Shift Values>> N :: 121.14(4.54) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.19202148 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.454442642 HA2 :: 3.893603762 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.4868508 Ave N Shift Values>> N :: 109.67(3.87) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.12 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> CA :: 56.0887076 CB :: 33.1514247 CG :: 24.51719577 CD :: 28.96534591 CE :: 42.12814198 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 :: 8.077204872 HA :: 4.256684012 HB2 :: 1.713103022 HG2 :: 1.271331236 HG3 :: 1.304348609 HD2 :: 1.579640063 HE2 :: 2.910161624 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 :: 120.2758598 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.1 K 0.08 Y 0.07 C 0.06 C Shift Assignments>> CA :: 54.33156645 CB :: 40.94129659 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 :: 8.316884871 HA :: 4.444202837 HB2 :: 2.4593332 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 :: 121.0431887 Ave N Shift Values>> N :: 120.65(3.86) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> CA :: 62.09175964 CB :: 33.54173867 CG1 :: 21.12245368 CG2 :: 20.3137413 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 :: 7.624939607 HA :: 3.976920405 HB :: 1.777468661 HG11 :: 0.6012280532 HG12 :: 0.6012280532 HG13 :: 0.6012280532 HG21 :: 0.6597389392 HG22 :: 0.6597389392 HG23 :: 0.6597389392 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.7574835 Ave N Shift Values>> N :: 121.14(4.54) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> CA :: 56.53957368 CB :: 40.28381658 CD1 :: 133.0078249 CD2 :: 133.0078249 CE1 :: 118.346631 CE2 :: 118.346631 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 :: 8.486786413 HA :: 4.749016914 HB2 :: 2.688339737 HB3 :: 3.070250878 HD1 :: 6.969438128 HD2 :: 6.969438128 HE1 :: 6.791180695 HE2 :: 6.791180695 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.6285928 Ave N Shift Values>> N :: 120.52(4.2) 1.K66 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>> CA :: 54.91123987 CB :: 35.28630238 CG :: 24.90413367 CD :: 29.42716037 CE :: 41.8742093 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 :: 8.631317022 HA :: 5.026278476 HB2 :: 1.368920301 HB3 :: 1.453536506 HG2 :: 1.012169729 HG3 :: 1.083500641 HD2 :: 1.468746997 HE2 :: 2.769040389 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 :: 121.1548933 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 I 0.09 R 0.09 K 0.09 H 0.09 Q 0.08 V 0.03 M 0.02 C Shift Assignments>> CA :: 59.66181588 CB :: 29.64759475 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.696670281 HA :: 4.386139111 HB2 :: 2.738431866 HB3 :: 3.06770251 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 :: 125.4399282 Ave N Shift Values>> N :: 120.17(4.64) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.07 K 0.06 M 0.05 Q 0.04 C Shift Assignments>> CA :: 58.59268472 CB :: 30.10579114 CG :: 36.16412842 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 :: 9.471929164 HA :: 4.041396142 HB2 :: 2.007357443 HB3 :: 2.050514332 HG2 :: 2.313110193 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 :: 131.2835374 Ave N Shift Values>> N :: 120.67(3.48) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> CA :: 63.3182604 CB :: 38.22432533 CG1 :: 28.02764156 CG2 :: 17.6116698 CD1 :: 12.23669962 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 :: 8.824262935 HA :: 3.850113995 HB :: 0.8468674712 HG12 :: 0.9626778883 HG13 :: 1.161029926 HG21 :: 0.5602546229 HG22 :: 0.5602546229 HG23 :: 0.5602546229 HD11 :: 0.5091931111 HD12 :: 0.5091931111 HD13 :: 0.5091931111 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 :: 120.9814566 Ave N Shift Values>> N :: 121.46(4.28) 1.C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.13 R 0.11 K 0.1 E 0.1 H 0.09 M 0.08 V 0.08 Q 0.04 I 0.01 C Shift Assignments>> CA :: 59.01823383 CB :: 31.51970378 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.699451507 HA :: 4.935269358 HB2 :: 2.861726139 HB3 :: 3.266076981 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 :: 118.9172713 Ave N Shift Values>> N :: 120.17(4.64) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.3 K 0.15 L 0.05 G 0.02 C Shift Assignments>> CA :: 57.64381568 CB :: 28.54562482 CG :: 25.05573202 CD :: 28.51827361 CE :: 42.52885231 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 :: 7.770507527 HA :: 4.039545393 HB2 :: 1.849020196 HB3 :: 2.167406857 HG2 :: 1.114103967 HG3 :: 1.268512931 HD2 :: 1.447303488 HD3 :: 1.538938425 HE2 :: 2.83855265 HE3 :: 2.877134018 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 :: 116.3976169 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.654075968 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 :: 122.5217946 Ave N Shift Values>> N :: 120.09(3.57) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 P 0.48 C Shift Assignments>> CA :: 61.52090082 CB :: 32.98178307 CG :: 26.50987756 CD :: 50.64619829 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 :: 4.92737988 HB2 :: 1.699666426 HB3 :: 1.779216453 HG2 :: 1.832468136 HD2 :: 3.419220625 HD3 :: 3.688904337 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) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 134.16(6.62) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.36 G 0.25 HN Overlap>> 1.S48 1.S48 C Shift Assignments>> CB :: 43.79044287 CD1 :: 132.4401772 CD2 :: 132.4401772 CE1 :: 130.3135646 CE2 :: 130.3135646 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 :: 8.521745568 HB2 :: 2.513090127 HB3 :: 3.155928552 HD1 :: 7.042584629 HD2 :: 7.042584629 HE1 :: 6.67784881 HE2 :: 6.67784881 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 :: 116.0040911 Ave N Shift Values>> N :: 120.45(4.18) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.44960433 CB :: 64.47195594 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.049645236 HA :: 4.771305221 HB2 :: 3.963451329 HB3 :: 4.000809279 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 :: 115.7117477 Ave N Shift Values>> N :: 116.28(3.52) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> CA :: 60.78119483 CB :: 35.07751625 CG1 :: 20.76563511 CG2 :: 22.09361609 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 :: 7.416921921 HA :: 4.487215712 HB :: 2.159090951 HG11 :: 0.9472195438 HG12 :: 0.9472195438 HG13 :: 0.9472195438 HG21 :: 1.030612054 HG22 :: 1.030612054 HG23 :: 1.030612054 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.1651769 Ave N Shift Values>> N :: 121.14(4.54) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> CA :: 62.46255292 CB :: 37.5294031 CD1 :: 132.7002896 CD2 :: 132.7002896 CE1 :: 117.9576211 CE2 :: 117.9576211 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 :: 8.879613308 HA :: 3.182488987 HB2 :: 2.368347829 HB3 :: 2.628842034 HD1 :: 6.541696265 HD2 :: 6.541696265 HE1 :: 6.63597371 HE2 :: 6.63597371 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 :: 128.6044357 Ave N Shift Values>> N :: 120.52(4.2) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.03155359 CB :: 62.18478383 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.520503283 HA :: 4.056683881 HB2 :: 3.838532193 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 :: 112.7382794 Ave N Shift Values>> N :: 116.28(3.52) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.48 C Shift Assignments>> CA :: 65.40163764 CB :: 67.96257679 CG2 :: 24.16963874 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 :: 7.096566464 HA :: 3.816495739 HG21 :: 1.337570036 HG22 :: 1.337570036 HG23 :: 1.337570036 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 :: 117.4361978 Ave N Shift Values>> N :: 115.42(4.75) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.37 C Shift Assignments>> CA :: 57.68589131 CB :: 39.43933347 CG :: 26.13375417 CD1 :: 23.20492203 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 :: 6.810319447 HA :: 2.780777695 HB2 :: 0.8136856828 HB3 :: 1.613421066 HG :: 1.532501648 HD11 :: 0.77488664 HD12 :: 0.77488664 HD13 :: 0.77488664 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 :: 126.0843159 Ave N Shift Values>> N :: 121.86(3.9) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.3 E 0.24 K 0.02 HN Overlap>> 1.H53 1.R91 1.H53 1.R91 C Shift Assignments>> CA :: 60.26303638 CB :: 29.5825636 CG :: 37.0245572 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 :: 8.038626127 HA :: 3.598879157 HB2 :: 1.782795277 HB3 :: 2.019967195 HG2 :: 1.796707289 HG3 :: 1.9672176 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 :: 119.9058598 Ave N Shift Values>> N :: 120.67(3.48) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> CA :: 59.64424521 CB :: 32.4898831 CG :: 25.4737459 CD :: 29.43220484 CE :: 42.16379607 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 :: 7.513949129 HA :: 3.82666488 HB2 :: 1.79129924 HG2 :: 1.379740574 HG3 :: 1.565027667 HD2 :: 1.564119364 HD3 :: 1.649292275 HE2 :: 2.881247817 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 :: 118.27902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.46 H 0.04 C Shift Assignments>> CA :: 59.93597055 CB :: 28.11090895 CD2 :: 127.5209163 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 :: 7.747031659 HA :: 4.397084118 HB2 :: 2.979750043 HB3 :: 3.381623959 HD2 :: 7.181372598 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 :: 120.6248362 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.21 M 0.2 Q 0.07 R 0.02 C Shift Assignments>> CA :: 57.94104582 CB :: 31.42591598 CG :: 30.43326803 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 :: 8.634905958 HA :: 4.078849283 HB2 :: 2.815062364 HG2 :: 2.122798793 HG3 :: 2.243415894 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 :: 117.9405773 Ave N Shift Values>> N :: 120.09(3.57) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> CA :: 58.5849613 CB :: 32.63421614 CG :: 25.30657028 CD :: 29.00441313 CE :: 42.12644677 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 :: 7.50428153 HA :: 3.844724089 HB2 :: 1.734012384 HG2 :: 1.341313082 HG3 :: 1.463342475 HD2 :: 1.553648638 HE2 :: 2.856511854 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 :: 117.2479842 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> CA :: 58.18745822 CB :: 33.22421328 CG :: 24.27280821 CD :: 28.73909312 CE :: 42.07542407 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 :: 7.627800619 HA :: 3.852966338 HB2 :: 1.388508135 HB3 :: 1.568771896 HG2 :: 0.2688360056(S) HG3 :: 0.5234931841 HD2 :: 1.34888631 HE2 :: 2.440515902 HE3 :: 2.579289691 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 :: 117.4453377 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.4 C 0.36 H 0.23 HN Overlap>> 1.N41 1.N41 C Shift Assignments>> CA :: 57.71682321 CB :: 29.30573921 CD1 :: 127.3666938 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 :: 8.11678685 HA :: 4.326473129 HB2 :: 1.637409175(S) HB3 :: 2.40901829 HD1 :: 6.890181787 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 :: 114.9234956 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.38 H 0.04 C Shift Assignments>> CA :: 52.69589251 CB :: 29.16982862 CD2 :: 129.5972025 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 :: 7.570033538 HA :: 5.41354102 HB2 :: 3.235914049 HD2 :: 7.102261355 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 :: 116.4891713 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.23562051 CB :: 63.47829448 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.140471216 HA :: 4.256525176 HB2 :: 3.922769103 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 :: 115.8735213 Ave N Shift Values>> N :: 116.28(3.52) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.19 L 0.16 F 0.12 Y 0.1 C 0.07 K 0.02 C Shift Assignments>> CA :: 54.41892825 CB :: 40.29041843 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 :: 8.628050331 HA :: 4.467935827 HB2 :: 2.63149828 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 :: 120.2699247 Ave N Shift Values>> N :: 120.65(3.86) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.34 K 0.09 G 0.03 HN Overlap>> 1.H25 1.E81 1.H25 1.E81 C Shift Assignments>> CA :: 55.44571838 CB :: 30.57141701 CG :: 26.75809468 CD :: 42.91243328 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 :: 7.939360013 HA :: 4.309277411 HB2 :: 1.72347363 HB3 :: 1.818154845 HG2 :: 1.544734063 HD2 :: 3.098420034 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 :: 119.9263362 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.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> CA :: 62.46566485 CB :: 32.52610177 CG1 :: 21.16799201 CG2 :: 20.75736549 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 :: 7.968946729 HA :: 4.000371667 HB :: 1.992194633 HG11 :: 0.8444833028 HG12 :: 0.8444833028 HG13 :: 0.8444833028 HG21 :: 0.8591152636 HG22 :: 0.8591152636 HG23 :: 0.8591152636 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.8898203 Ave N Shift Values>> N :: 121.14(4.54) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.27 R 0.03 A 0.02 G 0.01 C Shift Assignments>> CA :: 54.98985197 CB :: 42.31719926 CG :: 26.97929891 CD1 :: 23.47983146 CD2 :: 24.90896146 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 :: 8.317162375 HA :: 4.292941783 HB2 :: 1.492746819 HB3 :: 1.570238301 HG :: 1.531591654 HD11 :: 0.7778476533 HD12 :: 0.7778476533 HD13 :: 0.7778476533 HD21 :: 0.8431266725 HD22 :: 0.8431266725 HD23 :: 0.8431266725 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 :: 126.0267603 Ave N Shift Values>> N :: 121.86(3.9) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.N95 1.N95 C Shift Assignments>> CA :: 53.19680992 CB :: 38.93857078 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 :: 8.370928546 HA :: 4.608650771 HB2 :: 2.683712947 HB3 :: 2.773816557 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 :: 119.5490576 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.09 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.N94 1.N94 C Shift Assignments>> CA :: 53.32957826 CB :: 38.95071049 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 :: 8.389150103 HA :: 4.630430827 HB2 :: 2.649991535 HB3 :: 2.742253316 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 :: 119.4591207 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.1 F 0.1 K 0.09 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> CA :: 54.46022352 CB :: 41.02596643 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 :: 8.300971706 HA :: 4.518856181 HB2 :: 2.521912698 HB3 :: 2.615097365 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 :: 120.5090976 Ave N Shift Values>> N :: 120.65(3.86) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.0387576 CB :: 38.54835096 CG1 :: 27.19407164 CG2 :: 17.46710735 CD1 :: 12.85757771 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 :: 7.908488149 HA :: 4.066049084 HB :: 1.783381379 HG12 :: 1.087049231 HG13 :: 1.378358588 HG21 :: 0.8011825776 HG22 :: 0.8011825776 HG23 :: 0.8011825776 HD11 :: 0.7730242839 HD12 :: 0.7730242839 HD13 :: 0.7730242839 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 :: 120.6914285 Ave N Shift Values>> N :: 121.46(4.28) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.37 R 0.12 C Shift Assignments>> CA :: 55.94616819 CB :: 33.13386578 CG :: 24.58944877 CD :: 28.92947698 CE :: 42.1455498 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 :: 8.374452486 HA :: 4.383523946 HB2 :: 1.700117412 HB3 :: 1.78012198 HG2 :: 1.328538988 HG3 :: 1.371136478 HD2 :: 1.606868222 HE2 :: 2.923333135 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 :: 126.2401034 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.67856984 CB :: 69.80798154 CG2 :: 21.53871147 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 :: 8.263021847 HA :: 4.276054357 HB :: 4.181308425 HG21 :: 1.113772519 HG22 :: 1.113772519 HG23 :: 1.113772519 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 :: 116.4233427 Ave N Shift Values>> N :: 115.42(4.75) 1.E100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.946116932 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.8591225 Ave N Shift Values>> N :: 120.67(3.48) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 100 #Suspicious: 0 C Shift Results: #Consistent: 311 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 547 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 96 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.E10 H = 11.06870802(S), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4526e-06 1.E10 N = 134.4724398(S), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3022e-05 1.Y11 HB2 = 1.646320534(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.3700e-04 1.K86 HG2 = 0.2688360056(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.2830e-05 1.W87 HB2 = 1.637409175(S), Expected = 3.19, Std = 0.3500, ChiSquare = 9.1657e-06