Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.472 CA :: 58.371 CB :: 63.994 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.533 HB2 :: 3.892 HB3 :: 3.892 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.084 CA :: 44.501 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.209 HA2 :: 4.155 HA3 :: 4.059 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.741 Ave N Shift Values>> N :: 109.91(4.29) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 61.515 CB :: 30.760 CG :: 27.227 CD :: 49.700 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.713 HB2 :: 2.316 HB3 :: 1.918 HG2 :: 2.018 HG3 :: 2.018 HD2 :: 3.601 HD3 :: 3.601 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.04 L 0.03 R 0.01 C Shift Assignments>> CG :: 26.888 CD :: 49.904 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.724 HB2 :: 1.959 HG2 :: 2.330 HD2 :: 3.803 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.236 CA :: 62.761 CB :: 32.082 CG :: 26.904 CD :: 50.400 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.389 HB2 :: 1.900 HB3 :: 2.279 HG2 :: 2.017 HD2 :: 3.622 HD3 :: 3.802 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 175.479 CA :: 50.343 CB :: 18.255 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.352 HA :: 4.583 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.926 Ave N Shift Values>> N :: 123.23(3.7) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.478 CA :: 62.757 CB :: 32.104 CG :: 27.292 CD :: 50.409 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.386 HB2 :: 1.852 HB3 :: 2.301 HG2 :: 2.016 HD2 :: 3.640 HD3 :: 3.799 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 174.727 CA :: 59.081 CB :: 39.710 CG1 :: 27.624 CG2 :: 17.882 CD1 :: 13.849 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.661 HA :: 4.288 HB :: 1.831 HG12 :: 1.789 HG13 :: 0.705 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.607 Ave N Shift Values>> N :: 121.6(4.72) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 175.380 CA :: 63.433 CB :: 32.428 CG :: 27.457 CD :: 51.361 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.457 HB2 :: 2.026 HB3 :: 2.357 HG2 :: 2.033 HD2 :: 3.553 HD3 :: 3.851 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.15 C 0.1 R 0.07 F 0.06 N 0.05 Y 0.05 C Shift Assignments>> C :: 176.413 CA :: 54.213 CB :: 41.793 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.042 HA :: 5.064 HB2 :: 2.578 HB3 :: 2.835 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.741 Ave N Shift Values>> N :: 120.73(4.2) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 A 0.11 G 0.08 L 0.05 C Shift Assignments>> C :: 174.915 CA :: 53.914 CB :: 48.283 CG :: 26.989 CD1 :: 27.065 CD2 :: 23.317 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.016 HA :: 4.847 HB2 :: 1.941 HB3 :: 1.591 HG :: 1.462 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 HD21 :: 1.073 HD22 :: 1.073 HD23 :: 1.073 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.451 Ave N Shift Values>> N :: 121.98(4.07) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.18 C Shift Assignments>> C :: 177.744 CA :: 57.027 CB :: 31.991 CG :: 24.809 CD :: 29.568 CE :: 41.819 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.937 HA :: 4.821 HB2 :: 1.818 HB3 :: 1.818 HG2 :: 1.209 HG3 :: 1.513 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.818 HE3 :: 2.907 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.346 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.43 I 0.02 C Shift Assignments>> C :: 174.118 CA :: 60.586 CB :: 33.601 CG1 :: 23.210 CG2 :: 19.361 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.228 HA :: 4.807 HB :: 2.676 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.605 Ave N Shift Values>> N :: 121.02(4.96) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.27 Y 0.14 G 0.13 C Shift Assignments>> C :: 172.947 CA :: 57.947 CB :: 43.455 CD1 :: 131.686 CD2 :: 131.686 CE1 :: 131.404 CE2 :: 131.404 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.429 HA :: 4.544 HB2 :: 3.088 HB3 :: 2.575 HD1 :: 6.759 HD2 :: 6.759 HE1 :: 7.299 HE2 :: 7.299 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.586 Ave N Shift Values>> N :: 120.69(4.18) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.35 Q 0.06 K 0.02 C Shift Assignments>> C :: 174.073 CA :: 55.117 CB :: 32.091 CG :: 35.805 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.620 HA :: 5.059 HB2 :: 1.716 HB3 :: 1.815 HG2 :: 2.003 HG3 :: 2.003 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.790 Ave N Shift Values>> N :: 120.68(3.68) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.25 K 0.18 G 0.09 C Shift Assignments>> C :: 176.293 CA :: 56.532 CB :: 33.707 CG :: 27.477 CD :: 43.504 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.806 HA :: 4.234 HB2 :: 1.401 HB3 :: 1.582 HG2 :: 1.661 HG3 :: 1.413 HD2 :: 3.385 HD3 :: 3.385 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.153 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 K 0.12 I 0.11 Q 0.04 C Shift Assignments>> C :: 175.219 CA :: 57.271 CB :: 28.595 CG :: 36.335 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.887 HA :: 3.968 HB2 :: 2.118 HB3 :: 2.594 HG2 :: 2.295 HG3 :: 2.406 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 132.286 Ave N Shift Values>> N :: 120.68(3.68) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.517 CA :: 45.698 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 3.658 HA3 :: 4.242 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.445 Ave N Shift Values>> N :: 109.91(4.29) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> C :: 175.459 CA :: 61.341 CB :: 32.051 CG1 :: 19.072 CG2 :: 23.381 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.016 HA :: 4.780 HB :: 2.320 HG11 :: 0.607 HG12 :: 0.607 HG13 :: 0.607 HG21 :: 0.468 HG22 :: 0.468 HG23 :: 0.468 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.489 Ave N Shift Values>> N :: 121.02(4.96) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Q 0.15 E 0.09 K 0.01 C Shift Assignments>> C :: 174.348 CA :: 53.879 CB :: 33.065 CG :: 34.143 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.446 HA :: 5.378 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 2.188 HG3 :: 2.289 HE21 :: 7.574 HE22 :: 6.740 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.296 NE2 :: 111.281 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 G 0.25 L 0.08 C Shift Assignments>> C :: 174.842 CA :: 53.914 CB :: 47.336 CG :: 28.262 CD1 :: 25.181 CD2 :: 26.318 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.579 HA :: 5.400 HB2 :: 1.403 HB3 :: 1.925 HG :: 1.545 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.847 Ave N Shift Values>> N :: 121.98(4.07) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.23 C 0.12 R 0.12 D 0.1 F 0.01 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 173.520 CA :: 52.063 CB :: 43.866 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.738 HA :: 5.542 HB2 :: 2.509 HB3 :: 2.509 HD21 :: 7.408 HD22 :: 6.792 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.346 ND2 :: 112.722 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.28 C 0.23 R 0.17 C Shift Assignments>> C :: 174.670 CA :: 53.773 CB :: 44.307 CG :: 28.444 CD1 :: 26.220 CD2 :: 24.704 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.406 HA :: 4.995 HB2 :: 0.863 HB3 :: 1.683 HG :: 1.674 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.198 Ave N Shift Values>> N :: 121.98(4.07) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.03 C Shift Assignments>> C :: 172.842 CA :: 56.340 CB :: 65.926 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.314 HA :: 4.807 HB2 :: 3.763 HB3 :: 3.594 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.017 Ave N Shift Values>> N :: 116.3(3.95) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.34 F 0.15 HN Overlap>> 1.E128 1.E128 C Shift Assignments>> C :: 175.242 CA :: 57.047 CB :: 44.307 CD1 :: 133.554 CD2 :: 133.554 CE1 :: 130.327 CE2 :: 130.327 CZ :: 129.166 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.366 HA :: 5.374 HB2 :: 2.739 HB3 :: 2.739 HD1 :: 7.299 HD2 :: 7.299 HE1 :: 7.201 HE2 :: 7.201 HZ :: 7.009 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.941 Ave N Shift Values>> N :: 120.69(4.18) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.38 G 0.03 HN Overlap>> 1.H111 1.H111 C Shift Assignments>> C :: 174.368 CA :: 60.680 CB :: 42.354 CG1 :: 27.742 CG2 :: 16.983 CD1 :: 12.704 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.950 HA :: 4.338 HB :: 1.854 HG12 :: 1.147 HG13 :: 1.549 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.161 Ave N Shift Values>> N :: 121.6(4.72) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.29 K 0.22 L 0.09 G 0.07 C Shift Assignments>> C :: 173.585 CA :: 51.444 CB :: 29.600 CG :: 26.046 CD :: 42.394 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.773 HA :: 5.263 HB2 :: 2.047 HB3 :: 1.648 HG2 :: 1.456 HG3 :: 1.817 HD2 :: 3.441 HD3 :: 3.273 HE :: 7.215 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.976 NE :: 82.844 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.44 C Shift Assignments>> CA :: 60.759 CB :: 32.219 CG :: 28.054 CD :: 50.915 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.581 HB2 :: 2.406 HB3 :: 1.944 HG2 :: 2.150 HG3 :: 1.919 HD2 :: 3.826 HD3 :: 4.011 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.240 CA :: 64.464 CB :: 31.997 CG :: 27.563 CD :: 50.915 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.236 HB2 :: 2.317 HB3 :: 1.945 HG2 :: 2.066 HG3 :: 2.066 HD2 :: 3.901 HD3 :: 3.901 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 K 0.15 I 0.1 Q 0.08 C Shift Assignments>> C :: 176.471 CA :: 57.753 CB :: 28.595 CG :: 35.861 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.287 HA :: 4.205 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.321 HG3 :: 2.199 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.025 Ave N Shift Values>> N :: 120.68(3.68) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.18 C 0.17 Y 0.03 F 0.02 L 0.02 C Shift Assignments>> C :: 172.128 CA :: 50.593 CB :: 39.094 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.257 HA :: 5.024 HB2 :: 2.668 HB3 :: 2.942 HD21 :: 6.795 HD22 :: 7.670 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.302 ND2 :: 110.369 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.707 CA :: 64.287 CB :: 32.235 CG :: 27.127 CD :: 50.378 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.600 HB2 :: 1.965 HB3 :: 2.365 HG2 :: 2.030 HD2 :: 3.549 HD3 :: 3.799 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.03 C Shift Assignments>> C :: 176.546 CA :: 52.674 CB :: 19.201 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.596 HA :: 4.262 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.780 Ave N Shift Values>> N :: 123.23(3.7) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.26 C 0.23 R 0.07 A 0.02 C Shift Assignments>> C :: 173.627 CA :: 54.548 CB :: 44.768 CG :: 27.334 CD1 :: 23.361 CD2 :: 26.503 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.963 HA :: 4.953 HB2 :: 2.063 HB3 :: 1.288 HG :: 1.421 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.870 Ave N Shift Values>> N :: 121.98(4.07) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.27 R 0.1 A 0.04 L 0.03 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 174.170 CA :: 53.914 CB :: 45.014 CG :: 28.467 CD1 :: 23.075 CD2 :: 28.324 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.247 HA :: 5.018 HB2 :: 1.808 HB3 :: 1.903 HG :: 1.595 HD11 :: 1.169 HD12 :: 1.169 HD13 :: 1.169 HD21 :: 1.198 HD22 :: 1.198 HD23 :: 1.198 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.985 Ave N Shift Values>> N :: 121.98(4.07) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.22 R 0.07 G 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 177.109 CA :: 53.190 CB :: 42.034 CG :: 27.671 CD1 :: 25.277 CD2 :: 24.450 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.224 HA :: 5.222 HB2 :: 1.414 HB3 :: 1.992 HG :: 1.607 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.906 Ave N Shift Values>> N :: 121.98(4.07) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.074 CA :: 59.794 CB :: 41.019 CG1 :: 27.495 CG2 :: 17.153 CD1 :: 15.010 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.087 HA :: 5.055 HB :: 1.699 HG12 :: 1.072 HG13 :: 1.760 HG21 :: 0.545 HG22 :: 0.545 HG23 :: 0.545 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.731 Ave N Shift Values>> N :: 121.6(4.72) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.993 CA :: 61.677 CB :: 69.838 CG2 :: 20.622 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.589 HA :: 5.023 HB :: 3.804 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.315 Ave N Shift Values>> N :: 115.7(5.05) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 174.670 CA :: 59.794 CB :: 38.754 CG1 :: 27.846 CG2 :: 18.004 CD1 :: 14.188 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.329 HA :: 4.953 HB :: 1.844 HG12 :: 1.645 HG13 :: 1.128 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.677 Ave N Shift Values>> N :: 121.6(4.72) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.494 CA :: 61.579 CB :: 70.338 CG2 :: 21.620 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.740 HA :: 5.266 HB :: 3.778 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.442 Ave N Shift Values>> N :: 115.7(5.05) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.05 L 0.01 C Shift Assignments>> C :: 174.819 CA :: 49.846 CB :: 20.414 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.489 HA :: 5.554 HB1 :: 0.593 HB2 :: 0.593 HB3 :: 0.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 134.267 Ave N Shift Values>> N :: 123.23(3.7) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 173.104 CA :: 59.331 CB :: 71.655 CG2 :: 22.590 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.431 HA :: 4.409 HB :: 3.763 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.611 Ave N Shift Values>> N :: 115.7(5.05) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.27 C 0.14 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 173.769 CA :: 51.019 CB :: 39.880 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.647 HA :: 5.096 HB2 :: 1.885 HB3 :: 2.833 HD21 :: 8.350 HD22 :: 6.851 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.087 ND2 :: 112.904 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 176.238 CA :: 57.422 CB :: 38.770 CD1 :: 131.416 CD2 :: 131.416 CE1 :: 131.398 CE2 :: 131.398 CZ :: 129.725 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.105 HA :: 4.601 HB2 :: 3.489 HB3 :: 2.875 HD1 :: 7.233 HD2 :: 7.233 HE1 :: 7.289 HE2 :: 7.289 HZ :: 7.267 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.238 Ave N Shift Values>> N :: 120.69(4.18) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 T 0.3 C Shift Assignments>> C :: 173.089 CA :: 58.654 CB :: 66.611 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.344 HA :: 4.933 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.477 Ave N Shift Values>> N :: 116.3(3.95) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.4 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 175.603 CA :: 56.701 CB :: 30.323 CG :: 36.519 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.051 HA :: 4.358 HB2 :: 2.581 HB3 :: 2.054 HG2 :: 2.380 HG3 :: 2.511 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.036 Ave N Shift Values>> N :: 120.68(3.68) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.168 CA :: 44.267 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.525 HA2 :: 2.842 HA3 :: 4.505 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.625 Ave N Shift Values>> N :: 109.91(4.29) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.15 L 0.15 Y 0.14 C 0.14 K 0.09 N 0.06 I 0.01 R 0.01 C Shift Assignments>> C :: 176.506 CA :: 55.793 CB :: 40.522 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.001 HA :: 4.082 HB2 :: 2.506 HB3 :: 2.185 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.175 Ave N Shift Values>> N :: 120.73(4.2) 1.V54 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>> C :: 176.126 CA :: 61.350 CB :: 32.808 CG1 :: 22.230 CG2 :: 22.349 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.873 HA :: 4.759 HB :: 1.695 HG11 :: 0.686 HG12 :: 0.686 HG13 :: 0.686 HG21 :: 0.319 HG22 :: 0.319 HG23 :: 0.319 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.250 Ave N Shift Values>> N :: 121.02(4.96) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 T 0.43 C Shift Assignments>> C :: 173.166 CA :: 59.194 CB :: 72.508 CG2 :: 22.841 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.004 HA :: 4.920 HB :: 3.827 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.888 Ave N Shift Values>> N :: 115.7(5.05) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.32 C 0.28 C Shift Assignments>> C :: 173.611 CA :: 56.363 CB :: 26.923 CD2 :: 119.801 CE1 :: 136.758 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.193 HA :: 4.153 HB2 :: 3.265 HB3 :: 3.265 HD2 :: 7.135 HE1 :: 8.178 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.667 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 176.025 CA :: 59.503 CB :: 39.871 CD1 :: 132.133 CD2 :: 132.133 CE1 :: 129.911 CE2 :: 129.911 CZ :: 128.795 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.932 HA :: 4.819 HB2 :: 2.313 HB3 :: 2.644 HD1 :: 6.811 HD2 :: 6.811 HE1 :: 6.776 HE2 :: 6.776 HZ :: 6.794 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.625 Ave N Shift Values>> N :: 120.69(4.18) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 173.046 CA :: 61.138 CB :: 41.349 CG1 :: 27.197 CG2 :: 17.313 CD1 :: 13.023 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.989 HA :: 4.001 HB :: 1.730 HG12 :: 0.993 HG13 :: 1.461 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 131.418 Ave N Shift Values>> N :: 121.6(4.72) 1.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 R 0.13 H 0.12 C 0.11 W 0.11 E 0.1 L 0.06 I 0.03 HN Overlap>> 1.Q60 1.Q60 C Shift Assignments>> C :: 173.375 CA :: 56.902 CB :: 28.363 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.844 HA :: 5.044 HB2 :: 2.365 HB3 :: 3.093 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.838 Ave N Shift Values>> N :: 119.95(4.79) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.27 E 0.13 K 0.05 HN Overlap>> 1.C59 1.C59 C Shift Assignments>> C :: 174.000 CA :: 54.162 CB :: 31.991 CG :: 33.969 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.929 HA :: 4.656 HB2 :: 1.818 HB3 :: 2.059 HG2 :: 2.259 HE21 :: 7.446 HE22 :: 6.739 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.903 NE2 :: 111.439 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.27 A 0.16 P 0.06 K 0.06 R 0.01 C Shift Assignments>> C :: 175.076 CA :: 50.160 CB :: 23.419 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.178 HA :: 5.192 HB1 :: 0.635 HB2 :: 0.635 HB3 :: 0.635 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.049 Ave N Shift Values>> N :: 123.23(3.7) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.35 C 0.18 K 0.04 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 176.013 CA :: 51.309 CB :: 22.617 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.488 HA :: 4.667 HB1 :: 1.260 HB2 :: 1.260 HB3 :: 1.260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.362 Ave N Shift Values>> N :: 123.23(3.7) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.23 A 0.06 C Shift Assignments>> C :: 173.707 CA :: 57.691 CB :: 32.968 CG1 :: 22.632 CG2 :: 19.191 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.271 HA :: 5.045 HB :: 2.284 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.572 Ave N Shift Values>> N :: 121.02(4.96) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.348 CA :: 62.757 CB :: 32.728 CG :: 28.033 CD :: 50.986 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.459 HB2 :: 2.442 HB3 :: 1.850 HG2 :: 1.842 HG3 :: 2.020 HD2 :: 3.455 HD3 :: 4.094 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.2 G 0.01 C Shift Assignments>> C :: 176.595 CA :: 58.516 CB :: 32.320 CG :: 24.819 CD :: 29.201 CE :: 42.137 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.323 HA :: 4.183 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.528 HG3 :: 1.528 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.008 HE3 :: 3.008 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.624 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.137 CA :: 59.298 CB :: 62.984 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.779 HA :: 4.234 HB2 :: 3.855 HB3 :: 3.921 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.762 Ave N Shift Values>> N :: 116.3(3.95) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.31 G 0.16 L 0.14 K 0.01 C Shift Assignments>> C :: 174.925 CA :: 54.940 CB :: 43.882 CG :: 29.141 CD1 :: 25.816 CD2 :: 26.419 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.109 HA :: 4.836 HB2 :: 1.682 HB3 :: 1.483 HG :: 1.601 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.569 Ave N Shift Values>> N :: 121.98(4.07) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.29 E 0.16 K 0.08 C Shift Assignments>> C :: 174.077 CA :: 54.829 CB :: 31.579 CG :: 34.047 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.063 HA :: 4.674 HB2 :: 2.006 HB3 :: 2.127 HG2 :: 2.299 HG3 :: 2.373 HE21 :: 7.514 HE22 :: 6.746 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.163 NE2 :: 111.587 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.23 L 0.21 R 0.02 C Shift Assignments>> C :: 175.497 CA :: 54.073 CB :: 45.602 CG :: 27.540 CD1 :: 25.077 CD2 :: 26.367 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.676 HA :: 5.231 HB2 :: 1.733 HB3 :: 1.382 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.046 Ave N Shift Values>> N :: 121.98(4.07) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.31 E 0.11 K 0.1 R 0.01 C Shift Assignments>> C :: 174.686 CA :: 54.657 CB :: 31.537 CG :: 33.570 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.410 HA :: 4.746 HB2 :: 2.019 HB3 :: 2.103 HG2 :: 2.340 HG3 :: 2.340 HE21 :: 7.562 HE22 :: 6.816 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.758 NE2 :: 111.491 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.25 G 0.15 R 0.15 C Shift Assignments>> C :: 176.498 CA :: 55.294 CB :: 43.898 CG :: 27.622 CD1 :: 25.731 CD2 :: 25.278 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.936 HA :: 4.752 HB2 :: 1.618 HB3 :: 1.668 HG :: 1.621 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.413 Ave N Shift Values>> N :: 121.98(4.07) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.25 Q 0.22 K 0.09 C Shift Assignments>> C :: 174.254 CA :: 54.209 CB :: 31.142 CG :: 34.856 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.100 HA :: 4.589 HB2 :: 2.161 HB3 :: 2.267 HG2 :: 2.418 HG3 :: 2.356 HE21 :: 7.458 HE22 :: 6.984 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.553 NE2 :: 112.487 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 176.548 CA :: 51.211 CB :: 17.185 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.452 HA :: 4.500 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.262 Ave N Shift Values>> N :: 123.23(3.7) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.266 CA :: 62.160 CB :: 32.897 CG :: 26.880 CD :: 50.207 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.848 HB2 :: 2.248 HB3 :: 2.248 HG2 :: 1.940 HD2 :: 3.806 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.460 CA :: 61.024 CB :: 62.867 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.293 HA :: 4.154 HB2 :: 4.183 HB3 :: 3.935 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.398 Ave N Shift Values>> N :: 116.3(3.95) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 171.327 CA :: 44.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.208 HA2 :: 4.095 HA3 :: 4.306 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.233 Ave N Shift Values>> N :: 109.91(4.29) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.22 L 0.13 C 0.11 F 0.06 Y 0.05 K 0.05 C Shift Assignments>> C :: 173.427 CA :: 53.060 CB :: 40.650 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 5.001 HB2 :: 2.939 HB3 :: 3.139 HD21 :: 7.760 HD22 :: 7.032 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 111.708 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.138 CA :: 59.766 CB :: 71.855 CG2 :: 20.607 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.579 HA :: 5.174 HB :: 4.019 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.705 Ave N Shift Values>> N :: 115.7(5.05) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.24 A 0.01 HN Overlap>> 1.I119 1.I119 C Shift Assignments>> C :: 174.289 CA :: 58.982 CB :: 32.717 CG1 :: 23.868 CG2 :: 19.644 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.696 HA :: 4.495 HB :: 1.695 HG11 :: 0.716 HG12 :: 0.716 HG13 :: 0.716 HG21 :: 0.257 HG22 :: 0.257 HG23 :: 0.257 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.606 Ave N Shift Values>> N :: 121.02(4.96) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.46 S 0.01 C Shift Assignments>> C :: 174.009 CA :: 63.184 CB :: 33.128 CG :: 27.500 CD :: 52.368 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.160 HB2 :: 1.785 HB3 :: 2.422 HG2 :: 1.870 HG3 :: 2.052 HD2 :: 3.692 HD3 :: 3.746 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.04 L 0.02 C Shift Assignments>> C :: 176.740 CA :: 51.951 CB :: 20.029 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.371 HA :: 3.715 HB1 :: 1.133 HB2 :: 1.133 HB3 :: 1.133 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.000 Ave N Shift Values>> N :: 123.23(3.7) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.23 R 0.16 G 0.11 K 0.11 C Shift Assignments>> C :: 176.777 CA :: 57.062 CB :: 26.959 CG :: 28.164 CD :: 43.551 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.724 HA :: 3.665 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 1.490 HG3 :: 1.490 HD2 :: 3.142 HD3 :: 3.327 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 111.901 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 176.193 CA :: 46.389 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.251 HA2 :: 3.352 HA3 :: 3.731 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.610 Ave N Shift Values>> N :: 109.91(4.29) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 171.651 CA :: 45.272 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.015 HA2 :: 3.891 HA3 :: 3.537 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.030 Ave N Shift Values>> N :: 109.91(4.29) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.2 G 0.06 R 0.03 C Shift Assignments>> C :: 174.362 CA :: 53.494 CB :: 42.901 CG :: 26.298 CD1 :: 24.419 CD2 :: 25.290 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.903 HA :: 4.346 HB2 :: 1.432 HB3 :: 1.548 HG :: 1.649 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.524 Ave N Shift Values>> N :: 121.98(4.07) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 178.338 CA :: 62.752 CB :: 33.557 CG :: 26.923 CD :: 51.420 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.570 HB2 :: 1.496 HB3 :: 2.097 HG2 :: 1.778 HG3 :: 1.778 HD2 :: 3.515 HD3 :: 3.933 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 175.620 CA :: 60.571 CB :: 40.787 CG1 :: 27.977 CG2 :: 17.236 CD1 :: 14.789 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.544 HA :: 4.021 HB :: 1.018 HG12 :: 0.508 HG13 :: 1.300 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 HD11 :: 0.162 HD12 :: 0.162 HD13 :: 0.162 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.504 Ave N Shift Values>> N :: 121.6(4.72) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.4 A 0.01 C Shift Assignments>> C :: 174.318 CA :: 58.935 CB :: 72.532 CG2 :: 21.627 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.788 HA :: 5.678 HB :: 3.897 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.839 Ave N Shift Values>> N :: 115.7(5.05) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.3 K 0.2 E 0.09 R 0.03 HN Overlap>> 1.A62 1.A62 C Shift Assignments>> C :: 172.439 CA :: 56.259 CB :: 30.760 CG :: 33.126 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.399 HA :: 4.528 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 2.096 HG3 :: 2.096 HE21 :: 7.427 HE22 :: 6.941 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.295 NE2 :: 107.572 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 G 0.28 C 0.23 R 0.11 C Shift Assignments>> C :: 175.027 CA :: 54.513 CB :: 44.412 CG :: 27.726 CD1 :: 24.310 CD2 :: 25.973 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.426 HA :: 5.103 HB2 :: 1.594 HB3 :: 1.353 HG :: 1.400 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.715 Ave N Shift Values>> N :: 121.98(4.07) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 174.296 CA :: 55.327 CB :: 40.899 CD1 :: 130.852 CD2 :: 130.852 CE1 :: 129.411 CE2 :: 129.411 CZ :: 130.909 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.647 HA :: 5.064 HB2 :: 2.821 HB3 :: 3.091 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 7.085 HE2 :: 7.085 HZ :: 7.102 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.227 Ave N Shift Values>> N :: 120.69(4.18) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.35 K 0.18 G 0.09 C Shift Assignments>> C :: 175.154 CA :: 55.046 CB :: 32.524 CG :: 27.888 CD :: 43.490 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.726 HA :: 5.109 HB2 :: 1.738 HB3 :: 1.802 HG2 :: 1.536 HG3 :: 1.436 HD2 :: 3.108 HD3 :: 3.219 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.174 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 C Shift Assignments>> C :: 174.400 CA :: 59.538 CB :: 40.963 CG1 :: 29.643 CG2 :: 18.555 CD1 :: 14.852 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.599 HA :: 5.206 HB :: 2.032 HG12 :: 1.168 HG13 :: 1.578 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.629 Ave N Shift Values>> N :: 121.6(4.72) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.26 C 0.2 R 0.04 C Shift Assignments>> C :: 176.106 CA :: 53.673 CB :: 44.245 CG :: 27.643 CD1 :: 24.591 CD2 :: 24.591 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.853 HA :: 5.152 HB2 :: 1.682 HB3 :: 1.510 HG :: 1.558 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.940 Ave N Shift Values>> N :: 121.98(4.07) 1.N95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.53 C 0.21 D 0.16 Y 0.02 F 0.02 L 0.02 C Shift Assignments>> C :: 173.779 CA :: 49.634 CB :: 39.189 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.271 HA :: 5.361 HB2 :: 2.368 HB3 :: 3.451 HD21 :: 8.155 HD22 :: 8.940(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.567 ND2 :: 111.749 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.656 CA :: 64.795 CB :: 32.010 CG :: 27.290 CD :: 50.840 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.306 HB2 :: 2.009 HB3 :: 2.321 HG2 :: 2.009 HG3 :: 2.057 HD2 :: 4.060 HD3 :: 3.439 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.19 D 0.12 Y 0.07 F 0.05 E 0.02 L 0.01 C Shift Assignments>> C :: 174.361 CA :: 52.889 CB :: 38.085 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.840 HA :: 4.828 HB2 :: 2.763 HB3 :: 2.961 HD21 :: 7.502 HD22 :: 7.043 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.343 ND2 :: 113.250 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.32 K 0.25 G 0.01 L 0.01 C Shift Assignments>> C :: 174.779 CA :: 57.625 CB :: 29.343 CG :: 24.887 CD :: 29.576 CE :: 42.338 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.735 HA :: 3.780 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 1.293 HG3 :: 1.459 HD2 :: 1.676 HD3 :: 1.768 HE2 :: 3.008 HE3 :: 2.948 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.175 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 175.018 CA :: 49.893 CB :: 18.125 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.454 HA :: 4.415 HB1 :: 1.125 HB2 :: 1.125 HB3 :: 1.125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.321 Ave N Shift Values>> N :: 123.23(3.7) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.29 C Shift Assignments>> CA :: 62.082 CB :: 31.068 CG :: 27.469 CD :: 49.473 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB2 :: 1.270 HB3 :: 1.173 HG2 :: 1.767 HG3 :: 1.468 HD2 :: 3.562 HD3 :: 3.246 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L101 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> L 0.51 C 0.25 R 0.15 G 0.06 C Shift Assignments>> C :: 174.350 CA :: 55.181 CB :: 43.103 CG :: 27.011 CD1 :: 26.502 CD2 :: 24.302 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 5.223(A) HA :: 3.758 HB2 :: 1.490 HB3 :: 1.151 HG :: 1.272 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 K 0.14 G 0.09 C Shift Assignments>> C :: 173.625 CA :: 54.659 CB :: 33.168 CG :: 26.880 CD :: 43.366 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.412 HA :: 4.500 HB2 :: 1.395 HB3 :: 1.794 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 3.076 HD3 :: 3.076 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.304 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.31 L 0.2 A 0.01 HN Overlap>> 1.R106 1.R106 C Shift Assignments>> C :: 173.874 CA :: 53.667 CB :: 47.097 CG :: 27.132 CD1 :: 24.495 CD2 :: 25.850 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.301 HA :: 4.886 HB2 :: 1.175 HB3 :: 1.539 HG :: 1.299 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.715 HD22 :: 0.715 HD23 :: 0.715 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.849 Ave N Shift Values>> N :: 121.98(4.07) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.16 C Shift Assignments>> C :: 174.980 CA :: 55.117 CB :: 34.581 CG :: 24.938 CD :: 29.413 CE :: 41.792 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.516 HA :: 4.773 HB2 :: 1.521 HB3 :: 1.604 HG2 :: 1.041 HG3 :: 1.106 HD2 :: 1.479 HD3 :: 1.479 HE2 :: 2.730 HE3 :: 2.730 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.165 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.32 C 0.17 R 0.05 A 0.01 C Shift Assignments>> C :: 174.037 CA :: 53.059 CB :: 44.358 CG :: 27.239 CD1 :: 26.117 CD2 :: 23.901 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.586 HA :: 4.923 HB2 :: 0.622 HB3 :: 0.622 HG :: 1.173 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.568 HD22 :: 0.568 HD23 :: 0.568 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.172 Ave N Shift Values>> N :: 121.98(4.07) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.34 K 0.15 G 0.11 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 174.611 CA :: 54.374 CB :: 32.783 CG :: 27.540 CD :: 43.536 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.363 HA :: 4.926 HB2 :: 1.603 HB3 :: 1.465 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 2.961 HD3 :: 3.013 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.880 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.28 C 0.14 C Shift Assignments>> C :: 175.494 CA :: 52.942 CB :: 45.279 CG :: 27.116 CD1 :: 25.003 CD2 :: 25.099 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.260 HA :: 5.110 HB2 :: 1.271 HB3 :: 1.361 HG :: 1.370 HD11 :: 0.346 HD12 :: 0.346 HD13 :: 0.346 HD21 :: 0.539 HD22 :: 0.539 HD23 :: 0.539 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.498 Ave N Shift Values>> N :: 121.98(4.07) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 172.424 CA :: 59.201 CB :: 71.413 CG2 :: 21.430 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.424 HA :: 5.344 HB :: 4.203 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.947 Ave N Shift Values>> N :: 115.7(5.05) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> C :: 171.790 CA :: 57.133 CB :: 38.008 CD1 :: 132.135 CD2 :: 132.135 CE1 :: 116.754 CE2 :: 116.754 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.056 HA :: 4.769 HB2 :: 3.026 HB3 :: 3.677 HD1 :: 6.807 HD2 :: 6.807 HE1 :: 6.598 HE2 :: 6.598 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.691 Ave N Shift Values>> N :: 120.79(4.69) 1.D110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.11 C 0.1 R 0.09 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.257 CA :: 53.147 CB :: 42.179 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.332 HA :: 5.855(S) HB2 :: 2.899 HB3 :: 2.435 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.179 Ave N Shift Values>> N :: 120.73(4.2) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 H 0.02 W 0.02 HN Overlap>> 1.I31 1.I31 C Shift Assignments>> C :: 175.420 CA :: 55.365 CB :: 36.414 CD2 :: 115.949 CE1 :: 139.506 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.993 HA :: 4.768 HB2 :: 3.146 HB3 :: 3.304 HD2 :: 6.350 HE1 :: 8.304 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.092 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 F 0.42 C Shift Assignments>> C :: 175.288 CA :: 59.353 CB :: 36.136 CD1 :: 131.393 CD2 :: 131.393 CE1 :: 130.660 CE2 :: 130.660 CZ :: 127.622 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.128 HA :: 3.972 HB2 :: 3.280 HB3 :: 2.824 HD1 :: 6.731 HD2 :: 6.731 HE1 :: 7.120 HE2 :: 7.120 HZ :: 7.177 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.361 Ave N Shift Values>> N :: 120.69(4.18) 1.H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.34 C 0.27 C Shift Assignments>> C :: 174.146 CA :: 57.593 CB :: 27.575 CD2 :: 120.057 CE1 :: 137.902 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.856 HA :: 4.168 HB2 :: 3.421 HB3 :: 3.484 HD2 :: 7.075 HE1 :: 8.043 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 109.753 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.3 E 0.12 K 0.09 C Shift Assignments>> C :: 174.702 CA :: 54.303 CB :: 31.548 CG :: 33.804 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.930 HA :: 4.674 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 6.948 HE22 :: 7.511 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.510 NE2 :: 112.246 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.157 CA :: 57.665 CB :: 63.266 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.528 HA :: 5.112 HB2 :: 3.651 HB3 :: 3.925 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.183 Ave N Shift Values>> N :: 116.3(3.95) 1.V116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.674 CA :: 62.375 CB :: 32.564 CG1 :: 20.881 CG2 :: 21.135 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.445 HA :: 3.870 HB :: 0.788(S) HG11 :: 0.688 HG12 :: 0.688 HG13 :: 0.688 HG21 :: 0.735 HG22 :: 0.735 HG23 :: 0.735 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.788 Ave N Shift Values>> N :: 121.02(4.96) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.29 E 0.19 K 0.11 C Shift Assignments>> C :: 174.229 CA :: 55.004 CB :: 31.166 CG :: 34.231 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.612 HA :: 5.170 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 2.056 HG3 :: 2.056 HE21 :: 7.459 HE22 :: 6.794 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.278 NE2 :: 111.519 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 E 0.14 Q 0.05 C Shift Assignments>> C :: 174.340 CA :: 54.799 CB :: 33.675 CG :: 35.205 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.960 HA :: 4.869 HB2 :: 2.248 HB3 :: 1.592 HG2 :: 2.384 HG3 :: 2.198 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.633 Ave N Shift Values>> N :: 120.68(3.68) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 175.386 CA :: 60.005 CB :: 40.761 CG1 :: 28.298 CG2 :: 17.483 CD1 :: 14.203 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.683 HA :: 5.157 HB :: 1.689 HG12 :: 1.479 HG13 :: 0.850 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.525 Ave N Shift Values>> N :: 121.6(4.72) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> C :: 172.536 CA :: 55.754 CB :: 39.904 CD1 :: 133.084 CD2 :: 133.084 CE1 :: 130.295 CE2 :: 130.295 CZ :: 128.395 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.647 HA :: 5.064 HB2 :: 3.444 HB3 :: 3.117 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.865 HE2 :: 6.865 HZ :: 6.718 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.954 Ave N Shift Values>> N :: 120.69(4.18) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.39 I 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.979 CA :: 54.976 CB :: 31.537 CG :: 36.957 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.807 HA :: 4.795 HB2 :: 1.897 HB3 :: 2.013 HG2 :: 2.212 HG3 :: 2.082 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.205 Ave N Shift Values>> N :: 120.68(3.68) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.324 CA :: 62.536 CB :: 32.136 CG1 :: 22.946 CG2 :: 21.443 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.818 HA :: 4.300 HB :: 2.119 HG11 :: 1.096 HG12 :: 1.096 HG13 :: 1.096 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.567 Ave N Shift Values>> N :: 121.02(4.96) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 174.799 CA :: 52.889 CB :: 40.114 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.770 HA :: 5.072 HB2 :: 2.777 HB3 :: 2.848 HD21 :: 7.580 HD22 :: 7.050 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.013 ND2 :: 112.867 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.29 E 0.07 Y 0.06 D 0.04 F 0.03 K 0.01 C Shift Assignments>> C :: 174.437 CA :: 52.853 CB :: 36.882 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.599 HA :: 4.721 HB2 :: 2.807 HB3 :: 2.941 HD21 :: 6.847 HD22 :: 7.583 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.247 ND2 :: 111.821 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.33 R 0.01 C Shift Assignments>> C :: 175.528 CA :: 53.787 CB :: 40.398 CG :: 27.469 CD1 :: 26.069 CD2 :: 24.853 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.105 HA :: 4.187 HB2 :: 1.739 HB3 :: 1.230 HG :: 1.642 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.273 Ave N Shift Values>> N :: 121.98(4.07) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.073 CA :: 62.439 CB :: 31.210 CG :: 27.428 CD :: 50.262 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.519 HB2 :: 1.837 HB3 :: 2.273 HG2 :: 1.415 HG3 :: 1.815 HD2 :: 2.953 HD3 :: 3.584 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.789 CA :: 64.360 CB :: 30.825 CG1 :: 21.194 CG2 :: 19.426 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.794 HA :: 3.216 HB :: 1.578 HG11 :: 0.874 HG12 :: 0.874 HG13 :: 0.874 HG21 :: 0.660 HG22 :: 0.660 HG23 :: 0.660 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.759 Ave N Shift Values>> N :: 121.02(4.96) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 I 0.27 K 0.04 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 177.624 CA :: 59.216 CB :: 29.188 CG :: 37.019 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.460 HA :: 3.831 HB2 :: 1.714 HB3 :: 1.900 HG2 :: 2.119 HG3 :: 2.492 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.892 Ave N Shift Values>> N :: 120.68(3.68) 1.S129 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>> C :: 173.147 CA :: 61.024 CB :: 64.440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.057 HA :: 3.925 HB2 :: 4.046 HB3 :: 3.202 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.727 Ave N Shift Values>> N :: 116.3(3.95) 1.W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.47 H 0.05 C Shift Assignments>> C :: 174.759 CA :: 57.027 CB :: 31.384 CD1 :: 127.756 CE3 :: 122.434 CZ2 :: 114.110 CZ3 :: 122.368 CH2 :: 124.822 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.184 HA :: 4.974 HB2 :: 3.288 HB3 :: 2.806 HD1 :: 7.005 HE1 :: 10.632 HE3 :: 7.019 HZ2 :: 7.484 HZ3 :: 7.206 HH2 :: 7.218 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.092 NE1 :: 130.732 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.23 E 0.13 R 0.05 I 0.03 C Shift Assignments>> C :: 181.259 CA :: 58.725 CB :: 28.579 CG :: 34.068 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.158 HA :: 3.751 HB2 :: 1.484 HB3 :: 1.310 HG2 :: 1.727 HG3 :: 1.503 HE21 :: 6.700 HE22 :: 6.655 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.549 NE2 :: 109.869 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 0 C Shift Results: #Consistent: 583 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 925 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N95 HD22 = 8.940(S), Expected = 7.20, Std = 0.5200, ChiSquare = 8.1941e-04 1.L101 H = 5.223(A), Expected = 8.22, Std = 0.6500, ChiSquare = 4.0118e-06 1.D110 HA = 5.855(S), Expected = 4.61, Std = 0.3100, ChiSquare = 5.9162e-05 1.V116 HB = 0.788(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.7008e-04