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>> H 0.13 Q 0.12 R 0.12 K 0.1 D 0.09 E 0.08 C 0.08 F 0.06 Y 0.06 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 173.7433 CA :: 55.8662 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4724 HB2 :: 4.00844 HB3 :: 4.00844 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.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 C 0.38 Q 0.06 K 0.06 I 0.02 HN Overlap>> 1.Y9 1.Y9 C Shift Assignments>> C :: 176.7938 CA :: 56.6197 CB :: 30.4174 CG :: 36.2583 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 :: 8.0902 HA :: 4.3210 HB2 :: 1.8500 HB3 :: 1.9980 HG2 :: 2.1850 HG3 :: 2.1850 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.2376 Ave N Shift Values>> N :: 120.67(3.48) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.8774 CA :: 62.0304 CB :: 69.8501 CG2 :: 21.6080 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3725 HA :: 4.3071 HB :: 4.1291 HG21 :: 1.0907 HG22 :: 1.0907 HG23 :: 1.0907 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1736 Ave N Shift Values>> N :: 115.42(4.75) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.T60 1.T60 C Shift Assignments>> C :: 174.7413 CA :: 62.0977 CB :: 69.8830 CG2 :: 21.6437 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2112 HA :: 4.2385 HB :: 4.1298 HG21 :: 1.0812 HG22 :: 1.0812 HG23 :: 1.0812 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.3513 Ave N Shift Values>> N :: 115.42(4.75) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.38 K 0.06 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.3403 CA :: 56.8111 CB :: 30.2888 CG :: 36.2484 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 :: 8.4425 HA :: 4.1407 HB2 :: 1.8115 HB3 :: 1.9336 HG2 :: 2.1590 HG3 :: 2.1589 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.6401 Ave N Shift Values>> N :: 120.67(3.48) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 HN Overlap>> 1.A27 1.A27 1.K23 1.K23 C Shift Assignments>> C :: 177.8948 CA :: 52.7946 CB :: 19.2186 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3197 HA :: 4.1377 HB1 :: 1.2401 HB2 :: 1.2401 HB3 :: 1.2401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0026 Ave N Shift Values>> N :: 123.23(3.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T53 1.T53 C Shift Assignments>> C :: 174.2043 CA :: 58.5190 CB :: 63.8107 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2011 HA :: 4.07023 HB2 :: 3.66652 HB3 :: 3.66652 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4960 Ave N Shift Values>> N :: 116.28(3.52) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.18 Q 0.17 H 0.17 C 0.14 R 0.12 K 0.11 I 0.05 V 0.01 P 0.01 HN Overlap>> 1.F15 1.D36 1.F15 1.D36 C Shift Assignments>> C :: 174.3979 CB :: 29.6421 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1687 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.8496 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.23 C 0.21 I 0.13 E 0.06 D 0.02 N 0.01 HN Overlap>> 1.E2 1.E2 C Shift Assignments>> C :: 173.7584 CA :: 58.0073 CB :: 38.2336 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 :: 8.0847 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 :: 122.2368 Ave N Shift Values>> N :: 120.52(4.2) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.4283 CA :: 63.1291 CB :: 31.9909 CG :: 27.3713 CD :: 50.5947 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 :: 4.2611 HB2 :: 2.1480 HB3 :: 2.1485 HG2 :: 1.7774 HG3 :: 1.8431 HD2 :: 3.4029 HD3 :: 3.5608 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.9229 Ave N Shift Values>> N :: 134.16(6.62) 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 :: 177.5519 CA :: 52.4271 CB :: 19.2326 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3126 HA :: 4.1790 HB1 :: 1.2628 HB2 :: 1.2628 HB3 :: 1.2628 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0143 Ave N Shift Values>> N :: 123.23(3.54) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 R 0.2 C 0.17 Q 0.17 E 0.11 K 0.08 HN Overlap>> 1.K20 1.K20 1.V72 1.R44 1.F39 1.V72 1.R44 1.F39 C Shift Assignments>> C :: 174.2805 CA :: 53.9365 CB :: 30.3036 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 :: 8.2586 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1940 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.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.7320 CA :: 63.2320 CB :: 32.0862 CG :: 27.4786 CD :: 50.6610 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 :: 4.2259 HB2 :: 2.0900 HB3 :: 2.0897 HG2 :: 1.6236 HG3 :: 1.8659 HD2 :: 3.4975 HD3 :: 3.6451 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.1069 Ave N Shift Values>> N :: 134.16(6.62) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.29 C 0.26 E 0.07 R 0.02 C Shift Assignments>> C :: 175.7456 CA :: 55.7880 CB :: 29.6092 CG :: 33.7096 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 :: 8.4555 HA :: 4.1330 HB2 :: 1.7633 HB3 :: 1.8461 HG2 :: 2.0990 HG3 :: 2.1605 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 :: 120.1919 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.31 C 0.15 I 0.09 D 0.07 N 0.02 K 0.01 HN Overlap>> 1.D36 1.H8 1.D36 1.H8 C Shift Assignments>> C :: 175.3820 CA :: 57.7841 CB :: 39.7558 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 :: 8.2257 HA :: 4.2181 HB2 :: 2.8660 HB3 :: 3.0185 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 :: 120.9359 Ave N Shift Values>> N :: 120.45(4.18) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.1 Y 0.07 F 0.07 HN Overlap>> 1.N35 1.N35 C Shift Assignments>> C :: 174.8135 CA :: 53.2184 CB :: 38.6858 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 :: 8.3839 HA :: 4.5160 HB2 :: 2.5700 HB3 :: 2.6370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.5221 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.11 HN Overlap>> 1.D26 1.D26 C Shift Assignments>> C :: 176.3915 CA :: 56.3105 CB :: 33.0936 CG :: 24.8257 CD :: 29.0368 CE :: 42.1374 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 :: 8.2521 HA :: 4.2036 HB2 :: 1.7310 HB3 :: 1.7308 HG2 :: 1.2530 HG3 :: 1.2530 HD2 :: 1.6110 HD3 :: 1.6112 HE2 :: 2.8760 HE3 :: 2.8760 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 :: 121.6773 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.7973 CA :: 60.1484 CB :: 69.8364 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1898 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.8585 Ave N Shift Values>> N :: 115.42(4.75) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.6044 CA :: 63.1950 CB :: 32.2363 CD :: 51.1192 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 :: 4.2420 HB2 :: 2.1000 HB3 :: 2.1000 HG2 :: 1.6108 HG3 :: 1.8540 HD2 :: 3.7160 HD3 :: 3.7159 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 139.0292 Ave N Shift Values>> N :: 134.16(6.62) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 HN Overlap>> 1.R12 1.R44 1.F39 1.R12 1.R44 1.F39 C Shift Assignments>> C :: 176.2017 CA :: 56.6346 CB :: 33.0490 CG :: 24.8154 CD :: 29.0799 CE :: 42.1184 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 :: 8.2933 HA :: 4.0682 HB2 :: 1.5450 HB3 :: 1.5448 HG2 :: 1.1405 HG3 :: 1.2279 HD2 :: 1.4900 HD3 :: 1.4896 HE2 :: 2.8060 HE3 :: 2.8059 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 :: 121.2137 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.27 C 0.18 I 0.1 D 0.05 N 0.03 E 0.02 C Shift Assignments>> C :: 175.4246 CA :: 57.6001 CB :: 38.7955 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 :: 8.0575 HA :: 4.4805 HB2 :: 2.8390 HB3 :: 2.8393 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.5150 Ave N Shift Values>> N :: 120.52(4.2) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.3136 CA :: 62.2282 CB :: 33.1027 CG1 :: 20.9866 CG2 :: 20.9870 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 :: 7.9562 HA :: 3.8351 HB :: 1.7682 HG11 :: 0.6464 HG12 :: 0.6464 HG13 :: 0.6464 HG21 :: 0.7067 HG22 :: 0.7067 HG23 :: 0.7067 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 :: 122.8359 Ave N Shift Values>> N :: 121.14(4.54) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.41 R 0.09 HN Overlap>> 1.A6 1.A6 C Shift Assignments>> C :: 176.0717 CA :: 56.5644 CB :: 33.2089 CG :: 24.8201 CD :: 29.2113 CE :: 42.1193 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 :: 8.2169 HA :: 4.0615 HB2 :: 1.5250 HB3 :: 1.5250 HG2 :: 1.1080 HG3 :: 1.1965 HD2 :: 1.5250 HD3 :: 1.5249 HE2 :: 2.8260 HE3 :: 2.8264 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 :: 124.9554 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.29 C 0.17 I 0.12 D 0.04 N 0.02 E 0.01 C Shift Assignments>> C :: 175.5232 CA :: 57.9293 CB :: 39.0382 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 :: 8.1320 HA :: 4.4351 HB2 :: 2.7969 HB3 :: 2.8633 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 :: 121.3299 Ave N Shift Values>> N :: 120.52(4.2) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 K 0.07 G 0.06 HN Overlap>> 1.Y47 1.Y47 C Shift Assignments>> C :: 175.4887 CA :: 56.1596 CB :: 31.0765 CG :: 27.3505 CD :: 43.3940 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 :: 8.1777 HA :: 4.1348 HB2 :: 1.6240 HB3 :: 1.6243 HG2 :: 1.3810 HG3 :: 1.5420 HD2 :: 2.9840 HD3 :: 2.9840 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 :: 122.7433 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 0.39 K 0.19 F 0.11 N 0.09 Y 0.08 C 0.06 R 0.04 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> C :: 176.0487 CA :: 54.3529 CB :: 41.5328 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 :: 8.2927 HA :: 4.4479 HB2 :: 2.5065 HB3 :: 2.6188 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 :: 121.6153 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>> A 0.97 C 0.02 HN Overlap>> 1.A6 1.A6 C Shift Assignments>> C :: 178.3795 CA :: 53.0056 CB :: 19.2995 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3779 HA :: 4.1712 HB1 :: 1.2942 HB2 :: 1.2942 HB3 :: 1.2942 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0487 Ave N Shift Values>> N :: 123.23(3.54) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 C 0.03 C Shift Assignments>> C :: 174.7363 CA :: 45.5973 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5115 HA2 :: 3.8780 HA3 :: 3.8775 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7407 Ave N Shift Values>> N :: 109.67(3.87) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.3966 CA :: 62.0791 CB :: 69.9721 CG2 :: 21.6086 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0506 HA :: 4.2253 HB :: 4.1722 HG21 :: 1.0886 HG22 :: 1.0886 HG23 :: 1.0886 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.5194 Ave N Shift Values>> N :: 115.42(4.75) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 C 0.03 C Shift Assignments>> C :: 173.9492 CA :: 45.4389 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4993 HA2 :: 3.8320 HA3 :: 3.8316 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3158 Ave N Shift Values>> N :: 109.67(3.87) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> C :: 176.1472 CA :: 61.2664 CB :: 38.7378 CG1 :: 27.5058 CG2 :: 17.5256 CD1 :: 12.8541 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 :: 7.9684 HA :: 4.0213 HB :: 1.6785 HG12 :: 1.2846 HG13 :: 0.9930 HG21 :: 0.7289 HG22 :: 0.7289 HG23 :: 0.7289 HD11 :: 0.7290 HD12 :: 0.7290 HD13 :: 0.7290 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 :: 120.3157 Ave N Shift Values>> N :: 121.46(4.28) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.06 K 0.05 C Shift Assignments>> C :: 175.6029 CA :: 55.9080 CB :: 31.0753 CG :: 27.0019 CD :: 43.2987 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 :: 8.4316 HA :: 4.2245 HB2 :: 1.5570 HB3 :: 1.5570 HG2 :: 1.3700 HG3 :: 1.3705 HD2 :: 2.9560 HD3 :: 2.9562 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 :: 125.3901 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.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 C 0.4 Q 0.05 K 0.04 I 0.02 HN Overlap>> 1.H61 1.H61 C Shift Assignments>> C :: 175.9943 CA :: 56.3883 CB :: 30.6757 CG :: 36.3169 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 :: 8.4027 HA :: 4.2419 HB2 :: 1.6110 HB3 :: 1.6110 HG2 :: 2.1000 HG3 :: 2.1000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0607 Ave N Shift Values>> N :: 120.67(3.48) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.29 C 0.17 I 0.12 D 0.05 N 0.02 E 0.01 C Shift Assignments>> C :: 175.6537 CA :: 57.8801 CB :: 39.0523 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 :: 8.2943 HA :: 4.4508 HB2 :: 2.7838 HB3 :: 2.8729 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 :: 121.4308 Ave N Shift Values>> N :: 120.52(4.2) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 C 0.09 F 0.08 Y 0.08 HN Overlap>> 1.N16 1.N16 C Shift Assignments>> C :: 174.6954 CA :: 53.4088 CB :: 39.1438 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 :: 8.4402 HA :: 4.4942 HB2 :: 2.5920 HB3 :: 2.5917 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.5968 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 N 0.15 F 0.12 K 0.11 Y 0.09 C 0.07 R 0.01 HN Overlap>> 1.F15 1.F15 1.H8 1.H8 C Shift Assignments>> C :: 176.8647 CA :: 54.2800 CB :: 41.0232 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 :: 8.2012 HA :: 4.4180 HB2 :: 2.5251 HB3 :: 2.6971 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 :: 120.8459 Ave N Shift Values>> N :: 120.65(3.86) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 C 0.03 C Shift Assignments>> C :: 174.7412 CA :: 45.6557 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3472 HA2 :: 3.7400 HA3 :: 3.8992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7896 Ave N Shift Values>> N :: 109.67(3.87) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.4204 CA :: 62.4893 CB :: 70.0251 CG2 :: 21.4650 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0029 HA :: 4.1410 HB :: 4.0140 HG21 :: 0.9327 HG22 :: 0.9327 HG23 :: 0.9327 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.4316 Ave N Shift Values>> N :: 115.42(4.75) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 C 0.15 I 0.1 D 0.07 N 0.01 K 0.01 HN Overlap>> 1.K20 1.R12 1.K20 1.R12 C Shift Assignments>> C :: 176.1489 CA :: 57.9756 CB :: 39.8354 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 :: 8.3131 HA :: 4.5507 HB2 :: 2.8165 HB3 :: 2.9440 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 :: 121.2508 Ave N Shift Values>> N :: 120.45(4.18) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.6907 CA :: 45.3215 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2982 HA2 :: 3.7400 HA3 :: 3.7403 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1676 Ave N Shift Values>> N :: 109.67(3.87) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.28 C 0.18 I 0.14 D 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 175.8338 CA :: 58.1899 CB :: 38.9372 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 :: 8.0419 HA :: 4.4160 HB2 :: 2.7990 HB3 :: 2.9010 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.8945 Ave N Shift Values>> N :: 120.52(4.2) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 C 0.39 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 175.6369 CA :: 56.4358 CB :: 30.4649 CG :: 36.2963 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 :: 8.3584 HA :: 4.0783 HB2 :: 1.7576 HB3 :: 1.8479 HG2 :: 2.0730 HG3 :: 2.0732 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.5728 Ave N Shift Values>> N :: 120.67(3.48) 1.A43 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 :: 177.3553 CA :: 52.4208 CB :: 19.2221 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2439 HA :: 4.1329 HB1 :: 1.2351 HB2 :: 1.2351 HB3 :: 1.2351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2356 Ave N Shift Values>> N :: 123.23(3.54) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 R 0.2 C 0.17 Q 0.17 E 0.11 K 0.07 HN Overlap>> 1.K20 1.R12 1.V72 1.K20 1.R12 1.V72 C Shift Assignments>> C :: 174.2628 CA :: 53.9662 CB :: 30.3332 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 :: 8.2171 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1534 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.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.9742 CA :: 63.2055 CB :: 32.1204 CG :: 27.4430 CD :: 50.6214 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 :: 4.3024 HB2 :: 2.0930 HB3 :: 2.0935 HG2 :: 1.6382 HG3 :: 1.8606 HD2 :: 3.4920 HD3 :: 3.4923 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.9242 Ave N Shift Values>> N :: 134.16(6.62) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.1960 CA :: 61.8570 CB :: 69.9791 CG2 :: 21.6407 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1718 HA :: 4.1330 HB :: 4.0366 HG21 :: 1.0491 HG22 :: 1.0491 HG23 :: 1.0491 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.9386 Ave N Shift Values>> N :: 115.42(4.75) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.28 C 0.18 I 0.12 D 0.04 N 0.02 E 0.01 HN Overlap>> 1.R25 1.R25 C Shift Assignments>> C :: 175.1691 CA :: 57.8366 CB :: 38.9105 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 :: 8.1278 HA :: 4.4335 HB2 :: 2.8500 HB3 :: 2.8503 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 :: 122.7274 Ave N Shift Values>> N :: 120.52(4.2) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.39 R 0.04 C Shift Assignments>> C :: 175.5251 CA :: 55.6206 CB :: 33.4641 CG :: 24.6319 CD :: 29.0197 CE :: 41.5465 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 :: 8.0662 HA :: 4.1400 HB2 :: 1.5750 HB3 :: 1.5749 HG2 :: 1.0880 HG3 :: 1.1931 HD2 :: 1.4990 HD3 :: 1.4991 HE2 :: 2.8360 HE3 :: 2.8357 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 :: 124.3571 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 C 0.22 R 0.15 H 0.15 Q 0.15 E 0.05 C Shift Assignments>> C :: 174.9229 CA :: 54.5937 CB :: 32.5816 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 :: 8.3774 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 :: 124.8417 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.0672 CA :: 63.5208 CB :: 32.1525 CG :: 27.5411 CD :: 50.8333 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 :: 4.3209 HB2 :: 2.1850 HB3 :: 2.1854 HG2 :: 1.8496 HG3 :: 1.9975 HD2 :: 3.5470 HD3 :: 3.7540 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.7281 Ave N Shift Values>> N :: 134.16(6.62) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8348 CA :: 58.6610 CB :: 63.7630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3480 HA :: 4.2799 HB2 :: 3.7338 HB3 :: 3.7918 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.3502 Ave N Shift Values>> N :: 116.28(3.52) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 C 0.4 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 176.7392 CA :: 56.8114 CB :: 30.3979 CG :: 36.4411 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 :: 8.4785 HA :: 4.2661 HB2 :: 1.8589 HB3 :: 1.9959 HG2 :: 2.1600 HG3 :: 2.1600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.7875 Ave N Shift Values>> N :: 120.67(3.48) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> C :: 174.3867 CA :: 62.1491 CB :: 69.8419 CG2 :: 21.5761 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1697 HA :: 4.2074 HB :: 4.0792 HG21 :: 1.0660 HG22 :: 1.0660 HG23 :: 1.0660 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.5257 Ave N Shift Values>> N :: 115.42(4.75) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.21 C 0.09 F 0.08 Y 0.08 C Shift Assignments>> C :: 174.8903 CA :: 53.3996 CB :: 39.0251 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 :: 8.4226 HA :: 4.5562 HB2 :: 2.6390 HB3 :: 2.6393 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 :: 121.1653 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 177.3241 CA :: 52.8409 CB :: 19.0741 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1910 HA :: 4.1121 HB1 :: 1.1467 HB2 :: 1.1467 HB3 :: 1.1467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9468 Ave N Shift Values>> N :: 123.23(3.54) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.26 C 0.19 I 0.12 D 0.03 E 0.03 N 0.02 C Shift Assignments>> C :: 175.5180 CA :: 57.9004 CB :: 38.6254 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 :: 8.0841 HA :: 4.4108 HB2 :: 2.8150 HB3 :: 2.9294 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.5495 Ave N Shift Values>> N :: 120.52(4.2) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.21 C 0.09 F 0.08 Y 0.07 C Shift Assignments>> C :: 174.8334 CA :: 53.1984 CB :: 39.0162 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 :: 8.2515 HA :: 4.5688 HB2 :: 2.5566 HB3 :: 2.6661 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.4332 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.I31 1.I31 C Shift Assignments>> C :: 176.3746 CA :: 62.5381 CB :: 32.8001 CG1 :: 21.0310 CG2 :: 21.0310 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 :: 8.0460 HA :: 4.0577 HB :: 1.9723 HG11 :: 0.7881 HG12 :: 0.7881 HG13 :: 0.7881 HG21 :: 0.7880 HG22 :: 0.7880 HG23 :: 0.7880 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2387 Ave N Shift Values>> N :: 121.14(4.54) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.6092 CA :: 62.0978 CB :: 69.9037 CG2 :: 21.5700 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3124 HA :: 4.2894 HB :: 4.0483 HG21 :: 1.0273 HG22 :: 1.0273 HG23 :: 1.0273 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.9948 Ave N Shift Values>> N :: 115.42(4.75) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.T4 1.T4 C Shift Assignments>> C :: 174.2731 CA :: 61.8437 CB :: 69.8667 CG2 :: 21.5330 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1336 HA :: 4.2313 HB :: 4.0304 HG21 :: 1.0172 HG22 :: 1.0172 HG23 :: 1.0172 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.3891 Ave N Shift Values>> N :: 115.42(4.75) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.27 P 0.11 I 0.04 K 0.01 Q 0.01 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 175.6242 CA :: 62.7297 CB :: 34.0338 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3778 HA :: 3.7584 HB2 :: 3.36040 HB3 :: 3.21760 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.9933 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 177.4853 CA :: 52.8994 CB :: 19.2348 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5029 HA :: 4.1680 HB1 :: 1.2475 HB2 :: 1.2475 HB3 :: 1.2475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8990 Ave N Shift Values>> N :: 123.23(3.54) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 N 0.14 K 0.13 F 0.12 Y 0.09 C 0.07 R 0.01 C Shift Assignments>> C :: 177.0508 CA :: 54.2629 CB :: 41.1175 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 :: 8.3904 HA :: 4.4636 HB2 :: 2.6140 HB3 :: 2.6143 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.4220 Ave N Shift Values>> N :: 120.65(3.86) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 C 0.03 C Shift Assignments>> C :: 174.8183 CA :: 45.7155 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3883 HA2 :: 3.8446 HA3 :: 3.9328 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3633 Ave N Shift Values>> N :: 109.67(3.87) 1.T65 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 :: 174.5807 CA :: 62.4208 CB :: 70.0260 CG2 :: 21.6029 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1378 HA :: 4.3227 HB :: 4.1258 HG21 :: 1.0744 HG22 :: 1.0744 HG23 :: 1.0744 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.6347 Ave N Shift Values>> N :: 115.42(4.75) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 177.7713 CA :: 52.6437 CB :: 19.4279 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3241 HA :: 4.2971 HB1 :: 1.2048 HB2 :: 1.2048 HB3 :: 1.2048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8777 Ave N Shift Values>> N :: 123.23(3.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.4376 CA :: 61.8990 CB :: 69.9819 CG2 :: 21.5685 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0590 HA :: 4.1405 HB :: 3.9990 HG21 :: 0.9681 HG22 :: 0.9681 HG23 :: 0.9681 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.0203 Ave N Shift Values>> N :: 115.42(4.75) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.27 C 0.18 I 0.14 D 0.03 E 0.02 N 0.01 C Shift Assignments>> C :: 176.4590 CA :: 58.1837 CB :: 38.7780 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 :: 8.2272 HA :: 4.4491 HB2 :: 2.8258 HB3 :: 2.9342 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 :: 122.3833 Ave N Shift Values>> N :: 120.52(4.2) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 C 0.03 C Shift Assignments>> C :: 174.1610 CA :: 45.4280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3381 HA2 :: 3.7765 HA3 :: 3.8312 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5280 Ave N Shift Values>> N :: 109.67(3.87) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6188 CA :: 58.4284 CB :: 63.9855 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1864 HA :: 4.4160 HB2 :: 3.74853 HB3 :: 3.74853 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.6367 Ave N Shift Values>> N :: 116.28(3.52) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.06 K 0.05 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 176.2377 CA :: 56.2889 CB :: 30.7679 CG :: 27.1266 CD :: 43.3551 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 :: 8.3837 HA :: 4.2623 HB2 :: 1.6339 HB3 :: 1.7462 HG2 :: 1.5050 HG3 :: 1.5047 HD2 :: 3.0380 HD3 :: 3.0376 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 :: 122.7468 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.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.R12 1.R12 1.R44 1.R44 C Shift Assignments>> C :: 176.2833 CA :: 62.4462 CB :: 32.7328 CG1 :: 21.0179 CG2 :: 21.0180 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 :: 8.1730 HA :: 4.0583 HB :: 1.9470 HG11 :: 0.8064 HG12 :: 0.8064 HG13 :: 0.8064 HG21 :: 0.8060 HG22 :: 0.8060 HG23 :: 0.8060 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.2071 Ave N Shift Values>> N :: 121.14(4.54) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.0646 CA :: 61.8350 CB :: 70.0010 CG2 :: 21.7412 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2583 HA :: 4.2402 HB :: 4.1033 HG21 :: 1.0880 HG22 :: 1.0880 HG23 :: 1.0880 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.6822 Ave N Shift Values>> N :: 115.42(4.75) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 C Shift Assignments>> C :: 175.4499 CA :: 56.3282 CB :: 33.2618 CG :: 24.6736 CD :: 29.1093 CE :: 42.1829 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 :: 8.3490 HA :: 4.2760 HB2 :: 1.7380 HB3 :: 1.7380 HG2 :: 1.3000 HG3 :: 1.2996 HD2 :: 1.6370 HD3 :: 1.6370 HE2 :: 2.8470 HE3 :: 2.8465 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 :: 124.4812 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.26 Y 0.16 F 0.1 I 0.05 N 0.03 K 0.03 C Shift Assignments>> C :: 178.8607 CA :: 56.9298 CB :: 36.7761 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1139 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.7760 Ave N Shift Values>> N :: 120.17(4.64) ########################################################################### Overall Results: #Consistent: 75 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 75 #Suspicious: 0 C Shift Results: #Consistent: 273 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 392 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0