Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.7178 CB :: 63.92831 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.14594 HB2 :: 3.91588 HB3 :: 3.9874 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.2463 CA :: 58.19881 CB :: 64.8292 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.62888 HB2 :: 3.94245 HB3 :: 4.18491 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.1 HN Overlap>> 1.A24 1.A24 C Shift Assignments>> C :: 178.06972 CA :: 58.82554 CB :: 41.79525 CG :: 27.34117 CD1 :: 25.65435 CD2 :: 23.96794 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 :: 8.59647 HA :: 3.97027 HB2 :: 1.58385 HB3 :: 1.70176 HD11 :: 0.81928 HD12 :: 0.81928 HD13 :: 0.81928 HD21 :: 0.91066 HD22 :: 0.91066 HD23 :: 0.91066 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 :: 123.40167 Ave N Shift Values>> N :: 121.86(3.9) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 K 0.15 W 0.13 R 0.09 M 0.08 E 0.06 Q 0.05 P 0.04 C Shift Assignments>> C :: 178.74406 CA :: 60.1707 CB :: 32.48331 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 :: 8.14794 HA :: 3.89597 HB2 :: 1.77095 HB3 :: 1.77095 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 :: 117.9701 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.24 E 0.17 R 0.13 K 0.11 I 0.11 Q 0.11 V 0.05 M 0.03 C Shift Assignments>> C :: 180.34796 CA :: 59.61772 CB :: 29.78124 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8461 HA :: 4.02594 HB2 :: 2.00053 HB3 :: 2.17311 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 :: 119.2762 Ave N Shift Values>> N :: 120.67(3.48) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 R 0.48 G 0.02 HN Overlap>> 1.E112 1.E112 C Shift Assignments>> C :: 178.47142 CA :: 60.0513 CB :: 33.40621 CG :: 26.3832 CD :: 29.68393 CE :: 42.36417 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 :: 8.2142 HA :: 4.15698 HB2 :: 1.74885 HB3 :: 1.91845 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 :: 120.42669 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 Y 0.34 HN Overlap>> 1.F28 1.F28 C Shift Assignments>> C :: 175.99408 CA :: 62.76948 CB :: 39.14544 CD1 :: 131.39348 CD2 :: 131.39348 CE1 :: 131.327 CE2 :: 131.327 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 :: 8.71456 HA :: 3.9507 HB2 :: 3.01968 HB3 :: 3.14205 HD1 :: 7.01944 HD2 :: 7.01944 HE1 :: 7.18272 HE2 :: 7.18272 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.27945 Ave N Shift Values>> N :: 120.45(4.18) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 E 0.16 K 0.14 I 0.14 Q 0.12 R 0.12 V 0.03 M 0.02 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> C :: 179.09524 CA :: 59.53203 CB :: 29.3822 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.97754 HA :: 3.86968 HB2 :: 1.99463 HB3 :: 2.1288 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.95424 Ave N Shift Values>> N :: 120.67(3.48) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 E 0.19 R 0.15 Q 0.14 K 0.13 I 0.07 M 0.04 V 0.02 C Shift Assignments>> C :: 178.10291 CA :: 58.7717 CB :: 29.72809 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.0793 HA :: 3.92604 HB2 :: 2.0374 HB3 :: 2.0374 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.46502 Ave N Shift Values>> N :: 120.67(3.48) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.68332 CA :: 62.22627 CB :: 39.85505 CD1 :: 132.04841 CD2 :: 132.04841 CE1 :: 118.58463 CE2 :: 118.58463 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 :: 8.47429 HA :: 3.78296 HB2 :: 2.66222 HB3 :: 3.01288 HD1 :: 6.6764 HD2 :: 6.6764 HE1 :: 6.75378 HE2 :: 6.75378 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 :: 122.50729 Ave N Shift Values>> N :: 120.52(4.2) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.15 K 0.15 Q 0.09 M 0.03 C Shift Assignments>> C :: 177.42529 CA :: 58.40594 CB :: 29.35469 CG :: 36.08125 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 :: 8.64682 HA :: 3.48427 HB2 :: 1.54194 HB3 :: 1.58201 HG2 :: 1.9035 HG3 :: 2.05307 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.89481 Ave N Shift Values>> N :: 120.67(3.48) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.28 G 0.01 C Shift Assignments>> C :: 179.26834 CA :: 57.59435 CB :: 32.74492 CG :: 25.36501 CD :: 29.3273 CE :: 42.3157 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 :: 6.94076 HA :: 3.95555 HB2 :: 1.65695 HB3 :: 1.65695 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 :: 115.37094 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 A 0.15 N 0.06 G 0.04 D 0.02 C Shift Assignments>> CA :: 48.84584 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.64118 HA3 :: 3.91109 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.47052 CA :: 64.84431 CB :: 31.97657 CG :: 28.21003 CD :: 51.40177 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 :: 4.19718 HB2 :: 1.81866 HB3 :: 2.35033 HG2 :: 1.84535 HG3 :: 2.0723 HD2 :: 3.60892 HD3 :: 3.60892 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.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.21 K 0.02 C Shift Assignments>> C :: 178.70806 CA :: 58.76421 CB :: 30.30214 CG :: 26.96287 CD :: 43.77237 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 :: 6.87022 HA :: 4.04746 HB2 :: 1.83302 HB3 :: 1.88774 HG2 :: 1.40614 HG3 :: 1.58143 HD2 :: 2.94327 HD3 :: 3.07471 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 :: 118.35697 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.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.87504 CA :: 66.01716 CB :: 38.10205 CG1 :: 30.70926 CG2 :: 17.42729 CD1 :: 14.214 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 :: 8.59168 HA :: 3.2949 HB :: 1.78196 HG12 :: 0.57025 HG13 :: 1.58378 HG21 :: 0.68868 HG22 :: 0.68868 HG23 :: 0.68868 HD11 :: 0.63976 HD12 :: 0.63976 HD13 :: 0.63976 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 :: 120.4317 Ave N Shift Values>> N :: 121.46(4.28) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.73 L 0.19 R 0.06 C Shift Assignments>> C :: 179.55594 CA :: 58.60547 CB :: 41.61422 CD1 :: 25.29955 CD2 :: 27.54964 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 :: 7.8492 HA :: 4.20646 HB2 :: 1.64069 HB3 :: 1.66916 HD11 :: 0.92876 HD12 :: 0.92876 HD13 :: 0.92876 HD21 :: 1.69651(S) HD22 :: 1.69651(S) HD23 :: 1.69651(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.63617 Ave N Shift Values>> N :: 121.86(3.9) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 176.77236 CA :: 47.15171 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.95969 HA2 :: 3.88438 HA3 :: 3.88438 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.62418 Ave N Shift Values>> N :: 109.67(3.87) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 179.57539 CA :: 58.09955 CB :: 42.02177 CG :: 26.92753 CD1 :: 26.21644 CD2 :: 22.90651 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 :: 7.83382 HA :: 4.0969 HB2 :: 0.88447 HB3 :: 1.82303 HG :: 1.62758 HD11 :: 0.5566 HD12 :: 0.5566 HD13 :: 0.5566 HD21 :: 0.65657 HD22 :: 0.65657 HD23 :: 0.65657 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 :: 123.63163 Ave N Shift Values>> N :: 121.86(3.9) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 179.18888 CA :: 60.34882 CB :: 30.38847 CD1 :: 127.05717 CE3 :: 121.25653 CZ2 :: 113.72797 CZ3 :: 121.2213 CH2 :: 123.88293 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 :: 8.35018 HA :: 4.4876 HB2 :: 3.07143 HB3 :: 3.23187 HD1 :: 6.90165 HE3 :: 7.32071 HZ2 :: 6.96627 HZ3 :: 6.60822 HH2 :: 6.76855 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.73702 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 E 0.17 I 0.11 R 0.07 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 178.14493 CA :: 59.32934 CB :: 28.13375 CG :: 34.47362 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 :: 8.093 HA :: 3.92351 HB2 :: 2.21358 HB3 :: 2.26853 HG2 :: 2.3158 HG3 :: 2.50353 HE21 :: 6.81893 HE22 :: 7.32884 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 :: 117.41713 NE2 :: 111.98969 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.24 E 0.16 I 0.15 R 0.12 K 0.11 Q 0.1 V 0.05 M 0.02 C Shift Assignments>> C :: 179.61778 CA :: 59.93011 CB :: 29.64986 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 :: 8.29014 HA :: 4.06813 HB2 :: 2.07614 HB3 :: 2.16244 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 :: 120.66726 Ave N Shift Values>> N :: 120.67(3.48) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 A 0.14 I 0.05 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 178.55795 CA :: 55.70169 CB :: 16.50953 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.69649 HA :: 3.91405 HB1 :: 1.46805 HB2 :: 1.46805 HB3 :: 1.46805 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.40606 Ave N Shift Values>> N :: 123.23(3.54) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 G 0.43 K 0.02 C Shift Assignments>> C :: 178.25937 CA :: 60.25159 CB :: 29.72108 CG :: 26.49266 CD :: 44.06399 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 :: 8.41044 HA :: 3.9851 HB2 :: 1.74295 HB3 :: 2.19954 HG2 :: 1.69226 HG3 :: 1.78259 HD2 :: 3.02403 HD3 :: 3.14163 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 :: 119.81566 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.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.9 N 0.08 C Shift Assignments>> C :: 179.41643 CA :: 57.66325 CB :: 40.02886 CG :: 178.95219 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 :: 8.43185 HA :: 4.36139 HB2 :: 2.65144 HB3 :: 2.77138 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 :: 120.47772 Ave N Shift Values>> N :: 120.65(3.86) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.31 I 0.04 C Shift Assignments>> C :: 178.84903 CA :: 55.14387 CB :: 17.48293 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.54889 HA :: 4.28083 HB1 :: 1.50597 HB2 :: 1.50597 HB3 :: 1.50597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.59966 Ave N Shift Values>> N :: 123.23(3.54) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 HN Overlap>> 1.F7 1.F7 C Shift Assignments>> C :: 179.41937 CA :: 61.68674 CB :: 39.32265 CD1 :: 131.70284 CD2 :: 131.70284 CE1 :: 131.66961 CE2 :: 131.66961 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 :: 8.68695 HA :: 4.01395 HB2 :: 3.35084 HB3 :: 3.42117 HD1 :: 7.2687 HD2 :: 7.2687 HE1 :: 7.41216 HE2 :: 7.41216 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.26937 Ave N Shift Values>> N :: 120.45(4.18) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 E 0.17 K 0.16 I 0.13 Q 0.13 R 0.11 M 0.02 V 0.02 C Shift Assignments>> C :: 178.08671 CA :: 59.3177 CB :: 29.24388 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 :: 8.69426 HA :: 3.75901 HB2 :: 2.06605 HB3 :: 2.12155 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.24005 Ave N Shift Values>> N :: 120.67(3.48) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> C :: 177.9822 CA :: 52.43968 CB :: 18.98398 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.58781 HA :: 4.27756 HB1 :: 1.48821 HB2 :: 1.48821 HB3 :: 1.48821 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.72938 Ave N Shift Values>> N :: 123.23(3.54) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.23093 CA :: 45.36915 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.74254 HA2 :: 3.4833 HA3 :: 4.1098 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.11436 Ave N Shift Values>> N :: 109.67(3.87) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.83 N 0.15 E 0.01 C Shift Assignments>> C :: 175.96562 CA :: 51.72007 CB :: 38.86484 CG :: 180.44675 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 :: 8.42855 HA :: 4.84715 HB2 :: 2.38763 HB3 :: 2.9722 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 :: 122.31749 Ave N Shift Values>> N :: 120.65(3.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.02 HN Overlap>> 1.E104 1.E42 1.E104 1.E42 C Shift Assignments>> C :: 179.4811 CA :: 58.07431 CB :: 40.12447 CG :: 27.84055 CD1 :: 25.11963 CD2 :: 22.23615 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 :: 7.77517 HA :: 4.02727 HB2 :: 1.68198 HB3 :: 1.89102 HG :: 1.75153 HD11 :: 0.89842 HD12 :: 0.89842 HD13 :: 0.89842 HD21 :: 0.9196 HD22 :: 0.9196 HD23 :: 0.9196 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 :: 121.5001 Ave N Shift Values>> N :: 121.86(3.9) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 180.46086 CA :: 55.21155 CB :: 17.97791 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.49417 HA :: 4.23603 HB1 :: 1.45607 HB2 :: 1.45607 HB3 :: 1.45607 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.82439 Ave N Shift Values>> N :: 123.23(3.54) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.19 G 0.07 L 0.02 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 178.34993 CA :: 57.34728 CB :: 30.0198 CG :: 26.40999 CD :: 43.15773 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 :: 7.38244 HA :: 4.09571 HB2 :: 1.79336 HB3 :: 1.79336 HG2 :: 1.40751 HG3 :: 1.69642 HD2 :: 2.99499 HD3 :: 3.44427 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 :: 119.57919 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.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.66509 CA :: 67.91783 CB :: 30.89809 CG1 :: 22.85133 CG2 :: 24.17454 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 :: 7.67319 HA :: 3.25305 HB :: 2.19023 HG11 :: 0.28958 HG12 :: 0.28958 HG13 :: 0.28958 HG21 :: 1.22452 HG22 :: 1.22452 HG23 :: 1.22452 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 :: 118.09567 Ave N Shift Values>> N :: 121.14(4.54) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.89 G 0.09 HN Overlap>> 1.E8 1.E71 1.E8 1.E71 C Shift Assignments>> C :: 178.24201 CA :: 58.0792 CB :: 42.45036 CG :: 179.30678 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.87697 HA :: 4.03172 HB2 :: 2.83853 HB3 :: 2.83853 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.9501 Ave N Shift Values>> N :: 120.65(3.86) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.25 E 0.18 R 0.15 Q 0.1 I 0.08 K 0.08 V 0.07 M 0.04 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> C :: 179.81323 CA :: 59.65852 CB :: 30.1933 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.53795 HA :: 3.84893 HB2 :: 2.05637 HB3 :: 2.20982 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.30397 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 0.8 K 0.14 G 0.03 C Shift Assignments>> C :: 179.05694 CA :: 58.03785 CB :: 42.40904 CD1 :: 26.36869 CD2 :: 23.85001 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 :: 8.32904 HA :: 3.9739 HB2 :: 0.99127 HB3 :: 1.9184 HD11 :: 0.66009 HD12 :: 0.66009 HD13 :: 0.66009 HD21 :: 0.76628 HD22 :: 0.76628 HD23 :: 0.76628 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 :: 121.53323 Ave N Shift Values>> N :: 121.86(3.9) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 I 0.04 A 0.03 HN Overlap>> 1.M57 1.M57 C Shift Assignments>> C :: 179.7539 CA :: 58.4856 CB :: 40.87828 CD1 :: 25.85379 CD2 :: 21.58388 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 :: 8.77867 HA :: 4.02743 HB2 :: 1.30199 HB3 :: 2.0052 HD11 :: 0.34417 HD12 :: 0.34417 HD13 :: 0.34417 HD21 :: 0.74925 HD22 :: 0.74925 HD23 :: 0.74925 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.83039 Ave N Shift Values>> N :: 121.86(3.9) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.25 E 0.15 I 0.13 R 0.12 V 0.1 Q 0.08 K 0.08 M 0.03 P 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 179.14804 CA :: 60.22171 CB :: 30.07016 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 :: 7.65817 HA :: 3.99089 HB2 :: 1.91194 HB3 :: 1.91194 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 :: 118.97835 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.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.24 E 0.17 R 0.13 K 0.12 I 0.11 Q 0.11 V 0.04 M 0.03 HN Overlap>> 1.E104 1.E104 1.L33 1.L33 C Shift Assignments>> C :: 179.72123 CA :: 59.57022 CB :: 29.74425 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.69512 HA :: 3.96706 HB2 :: 1.99258 HB3 :: 1.99258 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5012 Ave N Shift Values>> N :: 120.67(3.48) 1.L43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.81 G 0.08 R 0.07 V 0.02 C Shift Assignments>> C :: 177.37905 CA :: 58.20197 CB :: 42.72022 CG :: 28.41581 CD1 :: 23.9243 CD2 :: 22.96848 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 :: 8.87523 HA :: 3.50087 HB2 :: 0.57979 HB3 :: 1.78554 HG :: 1.01894 HD11 :: -0.03434 HD12 :: -0.03434 HD13 :: -0.03434 HD21 :: -0.35009(S) HD22 :: -0.35009(S) HD23 :: -0.35009(S) 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 :: 120.83652 Ave N Shift Values>> N :: 121.86(3.9) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.17 G 0.02 C Shift Assignments>> C :: 178.85295 CA :: 60.14482 CB :: 32.98788 CG :: 24.94668 CD :: 29.9281 CE :: 42.33043 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 :: 7.77441 HA :: 3.40328 HB2 :: 1.9763 HB3 :: 2.06377 HG2 :: 1.31864 HG3 :: 1.45464 HD2 :: 1.75244 HD3 :: 1.75244 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 :: 118.28944 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.2 Q 0.18 I 0.08 M 0.05 C Shift Assignments>> C :: 178.65822 CA :: 58.15643 CB :: 29.53904 CG :: 35.53238 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 :: 6.90675 HA :: 4.16651 HB2 :: 2.01888 HB3 :: 2.01888 HG2 :: 2.27092 HG3 :: 2.27092 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 :: 115.69345 Ave N Shift Values>> N :: 120.67(3.48) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.59783 CA :: 64.92603 CB :: 37.69925 CG1 :: 29.11409 CG2 :: 17.96237 CD1 :: 13.90191 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 :: 7.98327 HA :: 3.69168 HB :: 1.59173 HG12 :: 1.02226 HG13 :: 1.46243 HG21 :: 0.77424 HG22 :: 0.77424 HG23 :: 0.77424 HD11 :: 0.61207 HD12 :: 0.61207 HD13 :: 0.61207 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 :: 120.44822 Ave N Shift Values>> N :: 121.46(4.28) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.05 C Shift Assignments>> C :: 178.69289 CA :: 58.41742 CB :: 41.50181 CG :: 27.68832 CD1 :: 25.06304 CD2 :: 24.13737 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 :: 8.52816 HA :: 3.8122 HB2 :: 1.35018 HB3 :: 1.57794 HG :: 1.53176 HD11 :: 0.54221 HD12 :: 0.54221 HD13 :: 0.54221 HD21 :: 0.77706 HD22 :: 0.77706 HD23 :: 0.77706 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 :: 121.28153 Ave N Shift Values>> N :: 121.86(3.9) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.15 K 0.04 C Shift Assignments>> C :: 179.1257 CA :: 59.76833 CB :: 29.89113 CG :: 27.14327 CD :: 43.41831 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 :: 7.1523 HA :: 3.89073 HB2 :: 1.90731 HB3 :: 1.90731 HG2 :: 1.50451 HG3 :: 1.71185 HD2 :: 3.10556 HD3 :: 3.21328 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.71314 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.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 K 0.19 W 0.12 M 0.11 R 0.1 Q 0.09 E 0.06 P 0.02 C Shift Assignments>> C :: 178.37336 CA :: 59.74793 CB :: 32.74721 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 :: 7.69399 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 :: 119.45678 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 K 0.04 G 0.04 R 0.03 C Shift Assignments>> C :: 178.63496 CA :: 59.07177 CB :: 42.25912 CD1 :: 25.58501 CD2 :: 25.58501 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 :: 7.98421 HA :: 3.85437 HB2 :: 1.60917 HB3 :: 1.66814 HD11 :: 0.8132 HD12 :: 0.8132 HD13 :: 0.8132 HD21 :: 0.8132 HD22 :: 0.8132 HD23 :: 0.8132 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.13067 Ave N Shift Values>> N :: 121.86(3.9) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 178.9028 CA :: 59.12499 CB :: 32.50034 CG :: 24.77765 CD :: 29.33459 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 :: 7.63696 HA :: 4.01157 HB2 :: 1.84373 HB3 :: 1.84373 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 :: 117.3169 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.25 G 0.02 C Shift Assignments>> C :: 178.82079 CA :: 57.76192 CB :: 42.31879 CG :: 27.55724 CD1 :: 24.02592 CD2 :: 25.86073 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 :: 8.00963 HA :: 4.22017 HB2 :: 1.82881 HB3 :: 1.92298 HG :: 1.69328 HD11 :: 0.99875 HD12 :: 0.99875 HD13 :: 0.99875 HD21 :: 1.07837 HD22 :: 1.07837 HD23 :: 1.07837 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 :: 120.27389 Ave N Shift Values>> N :: 121.86(3.9) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.16 I 0.07 C Shift Assignments>> C :: 179.67897 CA :: 55.95345 CB :: 17.12998 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.54979 HA :: 3.66515 HB1 :: 1.30127 HB2 :: 1.30127 HB3 :: 1.30127 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.03525 Ave N Shift Values>> N :: 123.23(3.54) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.24 E 0.16 I 0.15 R 0.12 K 0.1 Q 0.09 V 0.07 M 0.02 C Shift Assignments>> C :: 179.99334 CA :: 60.06601 CB :: 29.7859 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 :: 8.29199 HA :: 3.87304 HB2 :: 1.97656 HB3 :: 2.23077 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.47312 Ave N Shift Values>> N :: 120.67(3.48) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.24 E 0.17 R 0.13 I 0.11 K 0.11 Q 0.11 V 0.05 M 0.03 HN Overlap>> 1.D98 1.D98 C Shift Assignments>> C :: 180.25129 CA :: 59.66029 CB :: 29.79848 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 :: 8.3215 HA :: 3.97354 HB2 :: 1.93096 HB3 :: 2.28234 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.03479 Ave N Shift Values>> N :: 120.67(3.48) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 I 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 177.06488 CA :: 60.00664 CB :: 34.36671 CG :: 32.77457 CE :: 15.77654 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 :: 8.74096 HA :: 3.75813 HB2 :: 1.75736 HB3 :: 2.22774 HE1 :: 1.56356 HE2 :: 1.56356 HE3 :: 1.56356 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 :: 118.83316 Ave N Shift Values>> N :: 120.09(3.57) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 177.56415 CA :: 61.14292 CB :: 31.71691 CG :: 25.75913 CD :: 29.56499 CE :: 41.83602 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 :: 8.31342 HA :: 3.61265 HB2 :: 1.65295 HB3 :: 1.99767 HG2 :: 1.36105 HG3 :: 1.43116 HD2 :: 1.43502 HD3 :: 1.43502 HE2 :: 2.81673 HE3 :: 2.85844 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 :: 120.32855 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.A96 1.A96 C Shift Assignments>> C :: 178.91699 CA :: 59.343 CB :: 32.3404 CG :: 24.81783 CD :: 29.51277 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 :: 7.75188 HA :: 4.1198 HB2 :: 1.86009 HB3 :: 1.9203 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 :: 118.78025 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 E 0.17 K 0.13 I 0.13 R 0.12 Q 0.11 V 0.04 M 0.02 C Shift Assignments>> C :: 179.63613 CA :: 59.60164 CB :: 29.54482 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8737 HA :: 4.029 HB2 :: 2.03358 HB3 :: 2.03358 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 :: 119.15712 Ave N Shift Values>> N :: 120.67(3.48) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.31 I 0.05 C Shift Assignments>> C :: 178.68474 CA :: 55.45106 CB :: 17.91109 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.77031 HA :: 3.95456 HB1 :: 1.36969 HB2 :: 1.36969 HB3 :: 1.36969 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.05602 Ave N Shift Values>> N :: 123.23(3.54) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.24 E 0.17 R 0.13 K 0.12 I 0.12 Q 0.11 V 0.04 M 0.03 HN Overlap>> 1.R95 1.R95 C Shift Assignments>> C :: 181.07921 CA :: 59.62802 CB :: 29.74381 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 :: 8.46821 HA :: 3.77244 HB2 :: 2.05084 HB3 :: 2.2433 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 :: 120.20622 Ave N Shift Values>> N :: 120.67(3.48) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 E 0.17 K 0.15 Q 0.13 I 0.12 R 0.12 M 0.02 V 0.02 C Shift Assignments>> C :: 177.98938 CA :: 59.28811 CB :: 29.30325 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 :: 8.218 HA :: 3.95168 HB2 :: 2.04277 HB3 :: 2.09611 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.74554 Ave N Shift Values>> N :: 120.67(3.48) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 178.00875 CA :: 52.30682 CB :: 18.975 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.64728 HA :: 4.31232 HB1 :: 1.48221 HB2 :: 1.48221 HB3 :: 1.48221 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.56548 Ave N Shift Values>> N :: 123.23(3.54) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.46346 CA :: 45.91805 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.78967 HA2 :: 3.78076 HA3 :: 3.9976 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.0125 Ave N Shift Values>> N :: 109.67(3.87) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.96 D 0.03 C Shift Assignments>> C :: 174.14799 CA :: 51.22472 CB :: 36.83943 CG :: 176.96801 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 :: 8.03286 HA :: 4.77923 HB2 :: 2.48268 HB3 :: 2.97327 HD21 :: 7.38135 HD22 :: 7.62769 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 :: 118.49644 ND2 :: 111.76208 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 V 0.11 R 0.09 Q 0.03 P 0.01 C Shift Assignments>> C :: 178.46617 CA :: 59.65884 CB :: 32.5982 CG :: 24.82342 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 :: 7.89407 HA :: 3.74724 HB2 :: 1.77284 HB3 :: 1.77284 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.29504 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 W 0.22 K 0.14 E 0.14 Q 0.1 R 0.09 V 0.03 M 0.01 HN Overlap>> 1.F94 1.F94 C Shift Assignments>> C :: 179.0361 CA :: 60.05854 CB :: 29.06955 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 :: 8.76448 HA :: 3.99445 HB2 :: 1.85432 HB3 :: 2.11051 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 :: 119.29033 Ave N Shift Values>> N :: 120.67(3.48) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.38 I 0.03 HN Overlap>> 1.A30 1.A30 C Shift Assignments>> C :: 178.99863 CA :: 54.97319 CB :: 17.81964 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.56427 HA :: 3.76581 HB1 :: 1.0599 HB2 :: 1.0599 HB3 :: 1.0599 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.69788 Ave N Shift Values>> N :: 123.23(3.54) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 177.24127 CA :: 68.45929 CB :: 31.67424 CG1 :: 21.84316 CG2 :: 24.2226 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 :: 8.01111 HA :: 3.24853 HB :: 2.11841 HG11 :: 0.84237 HG12 :: 0.84237 HG13 :: 0.84237 HG21 :: 0.96138 HG22 :: 0.96138 HG23 :: 0.96138 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 :: 117.43206 Ave N Shift Values>> N :: 121.14(4.54) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 E 0.16 I 0.15 K 0.13 R 0.11 Q 0.1 V 0.04 M 0.02 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> C :: 180.12825 CA :: 59.8003 CB :: 29.50512 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.83565 HA :: 3.98395 HB2 :: 2.00826 HB3 :: 2.04589 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.87235 Ave N Shift Values>> N :: 120.67(3.48) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 R 0.25 G 0.18 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> C :: 180.88224 CA :: 57.76134 CB :: 43.73665 CG :: 27.16911 CD1 :: 26.38521 CD2 :: 23.0645 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 :: 7.59783 HA :: 4.14279 HB2 :: 1.33189 HB3 :: 1.70836 HG :: 1.81071 HD11 :: 0.60126 HD12 :: 0.60126 HD13 :: 0.60126 HD21 :: 0.86187 HD22 :: 0.86187 HD23 :: 0.86187 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.89562 Ave N Shift Values>> N :: 121.86(3.9) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> C :: 178.6874 CA :: 58.34988 CB :: 41.32745 CG :: 28.49886 CD1 :: 25.02387 CD2 :: 23.3124 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 :: 8.74139 HA :: 3.91142 HB2 :: 1.08197 HB3 :: 1.98945 HG :: 1.49452 HD11 :: 0.55393 HD12 :: 0.55393 HD13 :: 0.55393 HD21 :: 0.72398 HD22 :: 0.72398 HD23 :: 0.72398 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 :: 122.30381 Ave N Shift Values>> N :: 121.86(3.9) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 I 0.21 K 0.14 E 0.14 Q 0.1 R 0.09 V 0.03 M 0.01 C Shift Assignments>> C :: 179.12219 CA :: 59.90463 CB :: 29.07055 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 :: 8.88412 HA :: 4.09079 HB2 :: 2.00533 HB3 :: 2.16263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.3966 Ave N Shift Values>> N :: 120.67(3.48) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 E 0.16 I 0.15 K 0.14 Q 0.11 R 0.11 V 0.03 M 0.02 C Shift Assignments>> C :: 179.81586 CA :: 59.62366 CB :: 29.36192 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.33155 HA :: 4.07133 HB2 :: 2.17279 HB3 :: 2.17279 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 :: 119.35934 Ave N Shift Values>> N :: 120.67(3.48) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.74 E 0.25 C Shift Assignments>> C :: 177.78828 CA :: 58.71494 CB :: 28.07926 CG :: 34.4882 CD :: 180.05369 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 :: 7.81542 HA :: 4.02679 HB2 :: 2.30647 HB3 :: 2.30647 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.9621 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 R 0.39 G 0.03 HN Overlap>> 1.K81 1.K81 C Shift Assignments>> C :: 178.65967 CA :: 58.74961 CB :: 42.40722 CG :: 28.18387 CD1 :: 25.64132 CD2 :: 25.66882 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 :: 8.62956 HA :: 3.84553 HB2 :: 1.41185 HB3 :: 1.9235 HG :: 1.53971 HD11 :: 0.81992 HD12 :: 0.81992 HD13 :: 0.81992 HD21 :: 0.90018 HD22 :: 0.90018 HD23 :: 0.90018 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.48325 Ave N Shift Values>> N :: 121.86(3.9) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.3 K 0.1 Q 0.04 M 0.01 HN Overlap>> 1.E88 1.E88 C Shift Assignments>> C :: 180.09785 CA :: 59.56982 CB :: 29.35538 CG :: 36.34065 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 :: 8.18124 HA :: 3.94447 HB2 :: 2.05266 HB3 :: 2.05266 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.53006 Ave N Shift Values>> N :: 120.67(3.48) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 P 0.09 A 0.06 L 0.04 N 0.02 C Shift Assignments>> C :: 175.81296 CA :: 47.73047 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8679 HA2 :: 3.83056 HA3 :: 3.9265 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.66399 Ave N Shift Values>> N :: 109.67(3.87) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.21 G 0.09 A 0.01 C Shift Assignments>> C :: 179.8282 CA :: 57.98079 CB :: 42.88151 CG :: 26.70762 CD1 :: 22.32315 CD2 :: 25.70372 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 :: 8.85364 HA :: 4.0032 HB2 :: 1.33162 HB3 :: 1.95217 HG :: 1.86826 HD11 :: 0.77594 HD12 :: 0.77594 HD13 :: 0.77594 HD21 :: 0.87284 HD22 :: 0.87284 HD23 :: 0.87284 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 :: 122.87962 Ave N Shift Values>> N :: 121.86(3.9) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.35 G 0.03 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 180.12025 CA :: 60.33647 CB :: 32.26721 CG :: 26.81376 CD :: 29.77959 CE :: 42.40898 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 :: 8.577 HA :: 3.93872 HB2 :: 1.84818 HB3 :: 1.84818 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 :: 119.56077 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 179.43716 CA :: 59.96604 CB :: 32.44329 CG :: 25.47422 CD :: 29.49415 CE :: 42.21792 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 :: 7.66931 HA :: 4.09795 HB2 :: 1.91701 HB3 :: 2.00451 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 :: 122.17438 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.30689 CA :: 66.36201 CB :: 37.84335 CG1 :: 30.43318 CG2 :: 17.60254 CD1 :: 13.4313 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 :: 8.22707 HA :: 3.48532 HB :: 2.01242 HG12 :: 0.78672 HG13 :: 1.77365 HG21 :: 0.90729 HG22 :: 0.90729 HG23 :: 0.90729 HD11 :: 0.68994 HD12 :: 0.68994 HD13 :: 0.68994 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 :: 120.80107 Ave N Shift Values>> N :: 121.46(4.28) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.87 E 0.12 C Shift Assignments>> C :: 177.51444 CA :: 59.7474 CB :: 28.73019 CG :: 34.08548 CD :: 179.22706 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 :: 8.90622 HA :: 4.00666 HB2 :: 2.18168 HB3 :: 2.18168 HG2 :: 2.33532 HG3 :: 2.33532 HE21 :: 6.38527 HE22 :: 7.62535 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 :: 120.60238 NE2 :: 110.03726 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.05 C Shift Assignments>> C :: 181.49689 CA :: 55.47274 CB :: 17.97869 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81356 HA :: 4.2291 HB1 :: 1.50425 HB2 :: 1.50425 HB3 :: 1.50425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.32407 Ave N Shift Values>> N :: 123.23(3.54) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.02 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 177.93758 CA :: 59.81562 CB :: 34.75644 CG :: 32.82852 CE :: 17.02328 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 :: 8.07603 HA :: 4.11269 HB2 :: 1.72581 HB3 :: 2.11692 HG2 :: 2.32277 HG3 :: 2.78461 HE1 :: 1.78895 HE2 :: 1.78895 HE3 :: 1.78895 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 :: 118.90182 Ave N Shift Values>> N :: 120.09(3.57) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 176.44338 CA :: 61.25977 CB :: 38.84607 CD1 :: 131.42647 CD2 :: 131.42647 CE1 :: 131.09784 CE2 :: 131.09784 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 :: 9.28588 HA :: 4.06721 HB2 :: 3.15034 HB3 :: 3.63178 HD1 :: 7.30444 HD2 :: 7.30444 HE1 :: 7.21305 HE2 :: 7.21305 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 :: 121.88414 Ave N Shift Values>> N :: 120.45(4.18) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 I 0.2 K 0.15 E 0.14 Q 0.11 R 0.09 V 0.02 M 0.01 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 180.13132 CA :: 59.80689 CB :: 29.04163 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 :: 8.18307 HA :: 3.73455 HB2 :: 2.05245 HB3 :: 2.12552 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.56605 Ave N Shift Values>> N :: 120.67(3.48) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 E 0.17 K 0.13 R 0.12 I 0.12 Q 0.11 V 0.03 M 0.03 HN Overlap>> 1.R35 1.R35 C Shift Assignments>> C :: 178.69437 CA :: 59.52145 CB :: 29.58466 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4614 HA :: 3.99664 HB2 :: 2.01475 HB3 :: 2.12341 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 :: 119.52731 Ave N Shift Values>> N :: 120.67(3.48) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.16 I 0.05 C Shift Assignments>> C :: 179.39574 CA :: 55.61307 CB :: 16.63631 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.91126 HA :: 3.95576 HB1 :: 1.38701 HB2 :: 1.38701 HB3 :: 1.38701 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.13954 Ave N Shift Values>> N :: 123.23(3.54) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.17518 CA :: 67.47441 CB :: 31.61694 CG1 :: 23.72392 CG2 :: 21.5258 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 :: 8.55358 HA :: 3.40626 HB :: 1.88512 HG11 :: 0.50161 HG12 :: 0.50161 HG13 :: 0.50161 HG21 :: 0.80957 HG22 :: 0.80957 HG23 :: 0.80957 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 :: 119.05797 Ave N Shift Values>> N :: 121.14(4.54) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 I 0.16 K 0.16 E 0.16 Q 0.12 R 0.1 V 0.02 M 0.02 C Shift Assignments>> C :: 179.14768 CA :: 59.49243 CB :: 29.07527 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.37706 HA :: 3.99017 HB2 :: 2.08161 HB3 :: 2.08161 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.9489 Ave N Shift Values>> N :: 120.67(3.48) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.28 I 0.04 C Shift Assignments>> C :: 179.2382 CA :: 55.35266 CB :: 17.49973 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.37067 HA :: 4.25932 HB1 :: 1.59576 HB2 :: 1.59576 HB3 :: 1.59576 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.62969 Ave N Shift Values>> N :: 123.23(3.54) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.36 HN Overlap>> 1.E68 1.E68 C Shift Assignments>> C :: 179.55924 CA :: 61.59097 CB :: 38.98402 CD1 :: 131.35319 CD2 :: 131.35319 CE1 :: 131.10024 CE2 :: 131.10024 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 :: 8.79057 HA :: 3.59951 HB2 :: 2.57431 HB3 :: 2.84587 HD1 :: 6.35306 HD2 :: 6.35306 HE1 :: 7.07669 HE2 :: 7.07669 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 :: 119.28134 Ave N Shift Values>> N :: 120.45(4.18) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.15 K 0.07 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 177.89337 CA :: 58.99209 CB :: 29.86693 CG :: 27.84973 CD :: 43.50391 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 :: 8.53221 HA :: 3.70087 HB2 :: 1.81959 HB3 :: 1.8847 HG2 :: 1.65481 HG3 :: 1.83321 HD2 :: 3.10158 HD3 :: 3.10158 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 :: 120.24117 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.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 177.95672 CA :: 52.36961 CB :: 19.04845 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.79476 HA :: 4.20249 HB1 :: 1.44292 HB2 :: 1.44292 HB3 :: 1.44292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.81922 Ave N Shift Values>> N :: 123.23(3.54) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.39738 CA :: 45.73109 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.56861 HA2 :: 3.56947 HA3 :: 3.99001 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1833 Ave N Shift Values>> N :: 109.67(3.87) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.86 N 0.12 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 175.5404 CA :: 52.24736 CB :: 39.38591 CG :: 180.29373 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 :: 8.22133 HA :: 4.76386 HB2 :: 2.38784 HB3 :: 2.98247 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 :: 121.03654 Ave N Shift Values>> N :: 120.65(3.86) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.21 K 0.14 C Shift Assignments>> C :: 178.9138 CA :: 60.17702 CB :: 30.75031 CG :: 28.44674 CD :: 43.49133 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 :: 7.992 HA :: 4.07805 HB2 :: 2.00752 HB3 :: 2.09248 HG2 :: 1.65422 HG3 :: 1.81479 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.02102 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.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 I 0.19 E 0.15 K 0.14 Q 0.1 R 0.1 V 0.03 M 0.02 C Shift Assignments>> C :: 179.04861 CA :: 59.90417 CB :: 29.23318 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 :: 8.71324 HA :: 4.09323 HB2 :: 2.03379 HB3 :: 2.10974 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 :: 119.85181 Ave N Shift Values>> N :: 120.67(3.48) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.1 K 0.09 C Shift Assignments>> C :: 177.9981 CA :: 58.04567 CB :: 30.86468 CG :: 26.84089 CD :: 43.28247 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 :: 7.74358 HA :: 4.08045 HB2 :: 1.57125 HB3 :: 1.78805 HG2 :: 1.56686 HG3 :: 1.56686 HD2 :: 3.04285 HD3 :: 3.33179 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 :: 120.54637 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.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 Y 0.14 F 0.14 C Shift Assignments>> C :: 176.15546 CA :: 62.70663 CB :: 39.09732 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 :: 8.26674 HA :: 3.88581 HB2 :: 2.87668 HB3 :: 2.87668 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 :: 118.02958 Ave N Shift Values>> N :: 120.45(4.18) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.12954 CA :: 47.37349 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.17345 HA2 :: 3.29091 HA3 :: 3.98869 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.13728 Ave N Shift Values>> N :: 109.67(3.87) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.18 K 0.08 M 0.05 Q 0.05 HN Overlap>> 1.E42 1.L33 1.E42 1.L33 C Shift Assignments>> C :: 179.47105 CA :: 59.14082 CB :: 29.97789 CG :: 36.29129 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.68507 HA :: 3.97358 HB2 :: 2.00802 HB3 :: 2.08484 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.47547 Ave N Shift Values>> N :: 120.67(3.48) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.26 G 0.02 C Shift Assignments>> C :: 178.23255 CA :: 57.93162 CB :: 42.40756 CG :: 27.49937 CD1 :: 25.97594 CD2 :: 22.65909 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 :: 8.07662 HA :: 3.78023 HB2 :: 0.91117 HB3 :: 1.70219 HG :: 1.55186 HD11 :: 0.66234 HD12 :: 0.66234 HD13 :: 0.66234 HD21 :: 0.72313 HD22 :: 0.72313 HD23 :: 0.72313 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 :: 120.11192 Ave N Shift Values>> N :: 121.86(3.9) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 HN Overlap>> 1.M86 1.M86 C Shift Assignments>> C :: 178.12871 CA :: 58.47822 CB :: 41.49428 CG :: 26.91053 CD1 :: 25.08889 CD2 :: 23.97281 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 :: 8.02179 HA :: 3.32822 HB2 :: 1.13469 HB3 :: 1.21819 HG :: 1.11449 HD11 :: 0.4819 HD12 :: 0.4819 HD13 :: 0.4819 HD21 :: 0.54539 HD22 :: 0.54539 HD23 :: 0.54539 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.81622 Ave N Shift Values>> N :: 121.86(3.9) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 E 0.16 I 0.15 K 0.15 Q 0.12 R 0.11 V 0.02 M 0.02 C Shift Assignments>> C :: 179.17115 CA :: 59.54889 CB :: 29.29036 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.16672 HA :: 3.76624 HB2 :: 1.99631 HB3 :: 1.99631 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 :: 115.30725 Ave N Shift Values>> N :: 120.67(3.48) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 G 0.01 C Shift Assignments>> C :: 179.17943 CA :: 59.26064 CB :: 32.91473 CG :: 25.61588 CD :: 29.20327 CE :: 42.19812 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 :: 7.51262 HA :: 3.88979 HB2 :: 1.73866 HB3 :: 1.80134 HG2 :: 1.36031 HG3 :: 1.54148 HD2 :: 1.53912 HD3 :: 1.53912 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 :: 119.21849 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.55896 CA :: 66.1497 CB :: 37.70331 CG1 :: 31.02629 CG2 :: 15.21805 CD1 :: 12.8349 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 :: 8.59335 HA :: 3.06814 HB :: 1.07923 HG12 :: 0.43444 HG13 :: 1.61716 HG21 :: -0.62186(S) HG22 :: -0.62186(S) HG23 :: -0.62186(S) HD11 :: 0.10716 HD12 :: 0.10716 HD13 :: 0.10716 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.229 Ave N Shift Values>> N :: 121.46(4.28) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.6474 CA :: 66.20203 CB :: 38.04105 CG1 :: 31.65644 CG2 :: 17.26682 CD1 :: 13.59027 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 :: 7.69076 HA :: 3.20969 HB :: 1.70114 HG12 :: 0.7085 HG13 :: 1.55264 HG21 :: 0.80954 HG22 :: 0.80954 HG23 :: 0.80954 HD11 :: 0.68707 HD12 :: 0.68707 HD13 :: 0.68707 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 :: 120.27048 Ave N Shift Values>> N :: 121.46(4.28) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.29 K 0.1 Q 0.05 M 0.02 C Shift Assignments>> C :: 179.83356 CA :: 59.74075 CB :: 29.42377 CG :: 36.20576 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.63303 HA :: 3.84262 HB2 :: 2.02209 HB3 :: 2.02209 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.33444 Ave N Shift Values>> N :: 120.67(3.48) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.2 Q 0.16 I 0.14 M 0.02 HN Overlap>> 1.K6 1.K6 C Shift Assignments>> C :: 179.51445 CA :: 58.82169 CB :: 29.05885 CG :: 35.58182 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 :: 8.15106 HA :: 3.97142 HB2 :: 1.85764 HB3 :: 1.85764 HG2 :: 2.04855 HG3 :: 2.22166 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 :: 120.50617 Ave N Shift Values>> N :: 120.67(3.48) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 P 0.01 C Shift Assignments>> C :: 177.11072 CA :: 47.24447 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.80675 HA2 :: 3.63164 HA3 :: 3.66676 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.32103 Ave N Shift Values>> N :: 109.67(3.87) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.27 G 0.01 C Shift Assignments>> C :: 179.39518 CA :: 60.1404 CB :: 32.75594 CG :: 25.7071 CD :: 29.7165 CE :: 42.14662 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 :: 8.54376 HA :: 3.89092 HB2 :: 1.80882 HB3 :: 1.80882 HD2 :: 1.60593 HD3 :: 1.60593 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 :: 121.87865 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 I 0.01 C Shift Assignments>> C :: 179.11344 CA :: 53.9534 CB :: 18.21774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.56193 HA :: 4.12671 HB1 :: 1.47142 HB2 :: 1.47142 HB3 :: 1.47142 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.52684 Ave N Shift Values>> N :: 123.23(3.54) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 G 0.09 R 0.09 C Shift Assignments>> C :: 178.7746 CA :: 56.26633 CB :: 43.15967 CG :: 26.29157 CD1 :: 23.69452 CD2 :: 25.5589 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 :: 7.3321 HA :: 4.29823 HB2 :: 1.76206 HB3 :: 1.84986 HG :: 1.95952 HD11 :: 0.87827 HD12 :: 0.87827 HD13 :: 0.87827 HD21 :: 0.87862 HD22 :: 0.87862 HD23 :: 0.87862 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 :: 116.78061 Ave N Shift Values>> N :: 121.86(3.9) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 177.28869 CA :: 59.28273 CB :: 39.21388 CG :: 26.49393 CD1 :: 22.93271 CD2 :: 25.38063 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 :: 7.25101 HA :: 4.30415 HB2 :: 1.56051 HB3 :: 1.9277 HG :: 1.91506 HD11 :: 0.77704 HD12 :: 0.77704 HD13 :: 0.77704 HD21 :: 0.88584 HD22 :: 0.88584 HD23 :: 0.88584 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 :: 117.60044 Ave N Shift Values>> N :: 121.86(3.9) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.24746 CB :: 31.24255 CG :: 28.34268 CD :: 50.75399 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 :: 4.35963 HB2 :: 1.77257 HB3 :: 2.32627 HG2 :: 1.91492 HG3 :: 2.05177 HD2 :: 3.63335 HD3 :: 3.79054 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.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.85 D 0.14 C Shift Assignments>> CA :: 55.14435 CB :: 38.55903 CG :: 175.79098 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 :: 7.61736 HA :: 4.65199 HB2 :: 2.81855 HB3 :: 3.01861 HD21 :: 6.83709 HD22 :: 8.00165 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.30565 ND2 :: 111.94094 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.00042 CA :: 67.89246 CB :: 31.58013 CG1 :: 22.39894 CG2 :: 24.32964 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 :: 8.09802 HA :: 3.71628 HB :: 2.47255 HG11 :: 1.24563 HG12 :: 1.24563 HG13 :: 1.24563 HG21 :: 1.28396 HG22 :: 1.28396 HG23 :: 1.28396 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 :: 122.14189 Ave N Shift Values>> N :: 121.14(4.54) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.2 K 0.13 Q 0.07 M 0.03 C Shift Assignments>> C :: 178.5853 CA :: 59.16058 CB :: 29.46143 CG :: 36.07078 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.56283 HA :: 4.11894 HB2 :: 2.08807 HB3 :: 2.08807 HG2 :: 2.32774 HG3 :: 2.32774 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.64656 Ave N Shift Values>> N :: 120.67(3.48) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.28 G 0.01 C Shift Assignments>> C :: 179.76358 CA :: 58.87619 CB :: 32.44689 CG :: 25.53413 CD :: 29.63711 CE :: 42.21742 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 :: 7.15139 HA :: 4.00788 HB2 :: 1.79267 HB3 :: 2.01091 HG2 :: 1.5912 HG3 :: 1.5912 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.92065 HE3 :: 2.92065 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 :: 116.97613 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.71212 CA :: 66.09413 CB :: 37.52693 CG1 :: 31.20376 CG2 :: 18.33973 CD1 :: 13.69595 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 :: 7.99793 HA :: 3.23267 HB :: 2.07615 HG12 :: 2.00147 HG13 :: 2.00147 HG21 :: 0.57419 HG22 :: 0.57419 HG23 :: 0.57419 HD11 :: 0.7996 HD12 :: 0.7996 HD13 :: 0.7996 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 :: 121.28769 Ave N Shift Values>> N :: 121.46(4.28) 1.K124 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.02 C Shift Assignments>> C :: 177.87937 CA :: 59.68559 CB :: 32.78346 CG :: 24.88424 CD :: 29.81994 CE :: 42.22794 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 :: 7.39053 HA :: 2.6941(S) HB2 :: 1.69542 HB3 :: 1.9499 HG2 :: 1.06373 HG3 :: 1.19049 HD2 :: 1.72782 HD3 :: 1.72782 HE2 :: 2.97429 HE3 :: 2.97429 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 :: 118.45065 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.1 K 0.1 Q 0.07 I 0.07 C Shift Assignments>> C :: 176.3933 CA :: 57.22053 CB :: 30.06106 CG :: 36.36679 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 :: 6.88107 HA :: 4.02081 HB2 :: 1.86185 HB3 :: 2.06421 HG2 :: 2.21067 HG3 :: 2.3933 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 :: 113.00206 Ave N Shift Values>> N :: 120.67(3.48) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 L 0.02 C Shift Assignments>> C :: 177.2781 CA :: 52.4698 CB :: 20.08913 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5001 HA :: 4.33592 HB1 :: 1.22775 HB2 :: 1.22775 HB3 :: 1.22775 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.81393 Ave N Shift Values>> N :: 123.23(3.54) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.9388 CA :: 63.87565 CB :: 39.14874 CG1 :: 25.89373 CG2 :: 17.74443 CD1 :: 14.74904 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.86952 HA :: 3.74378 HB :: 1.70243 HG12 :: 0.97171 HG13 :: 1.19516 HG21 :: 0.61606 HG22 :: 0.61606 HG23 :: 0.61606 HD11 :: 0.42462 HD12 :: 0.42462 HD13 :: 0.42462 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 :: 119.41003 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 123 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 125 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 1 C Shift Results: #Consistent: 543 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 795 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L18 HD21 = 1.69651(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5979e-04 1.L18 HD22 = 1.69651(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5979e-04 1.L18 HD23 = 1.69651(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5979e-04 1.L43 HD21 = -0.35009(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9574e-04 1.L43 HD22 = -0.35009(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9574e-04 1.L43 HD23 = -0.35009(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9574e-04 1.I109 HG21 = -0.62186(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.5358e-07 1.I109 HG22 = -0.62186(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.5358e-07 1.I109 HG23 = -0.62186(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.5358e-07 1.K124 HA = 2.6941(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.4151e-04 1.K124 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K124 SRO Rule Break>> HA > HE3 : 0.993548387096774