Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.93 M 0.04 L 0.01 C Shift Assignments>> C :: 173.686 CA :: 51.977 CB :: 20.036 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.281 HB1 :: 1.646 HB2 :: 1.646 HB3 :: 1.646 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D76 1.D76 C Shift Assignments>> C :: 172.902 CA :: 62.649 CB :: 69.866 CG2 :: 22.013 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 :: 8.664 HA :: 4.386 HB :: 4.183 HG21 :: 1.379 HG22 :: 1.379 HG23 :: 1.379 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 :: 117.531 Ave N Shift Values>> N :: 115.42(4.75) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.1 G 0.04 A 0.02 C Shift Assignments>> C :: 177.248 CA :: 54.745 CB :: 42.670 CG :: 27.290 CD1 :: 23.555 CD2 :: 25.171 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.145 HA :: 4.360 HB2 :: 1.603 HB3 :: 1.483 HG :: 1.710 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.405 Ave N Shift Values>> N :: 121.86(3.9) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.22 G 0.04 C Shift Assignments>> C :: 177.920 CA :: 55.483 CB :: 42.754 CG :: 27.650 CD1 :: 25.557 CD2 :: 25.553 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.427 HA :: 4.523 HB2 :: 1.582 HB3 :: 1.361 HG :: 1.561 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 HD21 :: 0.643 HD22 :: 0.643 HD23 :: 0.643 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.418 Ave N Shift Values>> N :: 121.86(3.9) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.950 CA :: 60.025 CB :: 72.462 CG2 :: 21.646 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.024 HA :: 4.770 HB :: 4.850 HG21 :: 1.414 HG22 :: 1.414 HG23 :: 1.414 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 :: 114.685 Ave N Shift Values>> N :: 115.42(4.75) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.550 CA :: 67.266 CB :: 68.681 CG2 :: 23.481 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 :: 8.833 HA :: 3.867 HB :: 4.316 HG21 :: 1.382 HG22 :: 1.382 HG23 :: 1.382 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 :: 115.498 Ave N Shift Values>> N :: 115.42(4.75) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.25 L 0.19 D 0.11 I 0.06 R 0.03 HN Overlap>> 1.L82 1.L82 C Shift Assignments>> C :: 178.532 CA :: 57.820 CB :: 41.251 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 :: 8.245 HA :: 4.621 HB2 :: 2.710 HB3 :: 2.710 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 :: 119.929 Ave N Shift Values>> N :: 120.65(3.86) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.24 L 0.21 D 0.11 R 0.05 I 0.05 C Shift Assignments>> C :: 179.388 CA :: 57.826 CB :: 41.482 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.882 HA :: 4.554 HB2 :: 3.036 HB3 :: 2.701 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 :: 120.242 Ave N Shift Values>> N :: 120.65(3.86) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 L 0.31 G 0.02 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 177.462 CA :: 57.993 CB :: 42.077 CG :: 27.499 CD1 :: 23.599 CD2 :: 27.955 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.064 HA :: 4.212 HB2 :: 2.334 HB3 :: 1.572 HG :: 1.890 HD11 :: 1.045 HD12 :: 1.045 HD13 :: 1.045 HD21 :: 1.126 HD22 :: 1.126 HD23 :: 1.126 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.288 Ave N Shift Values>> N :: 121.86(3.9) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.21 C Shift Assignments>> C :: 177.720 CA :: 60.682 CB :: 30.599 CG :: 27.461 CD :: 43.570 CZ :: 159.529 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 :: 8.833 HA :: 3.523 HB2 :: 2.049 HB3 :: 2.049 HG2 :: 1.403 HG3 :: 1.166 HD2 :: 3.215 HD3 :: 3.191 HE :: 7.317 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.766 NE :: 83.633 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.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.2 C Shift Assignments>> C :: 178.391 CA :: 59.826 CB :: 30.385 CG :: 28.250 CD :: 43.586 CZ :: 159.638 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.966 HA :: 4.032 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 1.924 HG3 :: 1.693 HD2 :: 3.364 HD3 :: 3.316 HE :: 7.511 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 :: 115.516 NE :: 85.003 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.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 I 0.02 C Shift Assignments>> C :: 180.035 CA :: 55.015 CB :: 18.631 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.699 HA :: 4.400 HB1 :: 1.670 HB2 :: 1.670 HB3 :: 1.670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.825 Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.25 G 0.01 C Shift Assignments>> C :: 180.387 CA :: 57.607 CB :: 41.924 CG :: 27.111 CD1 :: 23.296 CD2 :: 26.646 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.392 HA :: 4.398 HB2 :: 1.984 HB3 :: 1.445 HG :: 1.881 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.052 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E20 1.E20 C Shift Assignments>> C :: 178.882 CA :: 65.933 CB :: 32.039 CG1 :: 21.433 CG2 :: 22.640 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 :: 8.448 HA :: 3.939 HB :: 2.274 HG11 :: 1.036 HG12 :: 1.036 HG13 :: 1.036 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 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 :: 120.177 Ave N Shift Values>> N :: 121.14(4.54) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.25 M 0.05 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 178.435 CA :: 58.913 CB :: 29.899 CG :: 36.735 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 :: 8.212 HA :: 4.208 HB2 :: 2.260 HB3 :: 2.140 HG2 :: 2.624 HG3 :: 2.394 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.780 Ave N Shift Values>> N :: 120.67(3.48) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.241 CA :: 59.778 CB :: 64.145 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.815 HA :: 4.567 HB2 :: 4.143 HB3 :: 4.055 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.683 Ave N Shift Values>> N :: 116.28(3.52) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 L 0.01 C Shift Assignments>> C :: 178.215 CA :: 52.949 CB :: 19.777 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.837 HA :: 4.375 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.226 Ave N Shift Values>> N :: 123.23(3.54) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.334 CA :: 45.567 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.244 HA2 :: 4.017 HA3 :: 4.017 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.448 Ave N Shift Values>> N :: 109.67(3.87) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.76 M 0.18 I 0.05 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 176.772 CA :: 56.773 CB :: 29.960 CG :: 35.667 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 :: 8.469 HA :: 4.476 HB2 :: 2.236 HB3 :: 2.075 HG2 :: 2.411 HG3 :: 2.411 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.265 Ave N Shift Values>> N :: 120.67(3.48) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.520 CA :: 61.884 CB :: 70.114 CG2 :: 21.585 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 :: 8.246 HA :: 4.511 HB :: 4.369 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 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 :: 114.009 Ave N Shift Values>> N :: 115.42(4.75) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 F 0.13 N 0.12 Y 0.11 C Shift Assignments>> C :: 176.816 CA :: 54.721 CB :: 40.876 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 :: 8.492 HA :: 4.723 HB2 :: 2.840 HB3 :: 2.840 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.096 Ave N Shift Values>> N :: 120.65(3.86) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.764 CA :: 45.787 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.489 HA2 :: 4.071 HA3 :: 4.071 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.368 Ave N Shift Values>> N :: 109.67(3.87) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.204 CA :: 63.101 CB :: 69.965 CG2 :: 21.665 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 :: 8.131 HA :: 4.329 HB :: 4.227 HG21 :: 1.280 HG22 :: 1.280 HG23 :: 1.280 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 :: 115.874 Ave N Shift Values>> N :: 115.42(4.75) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.24 N 0.14 F 0.12 Y 0.09 C Shift Assignments>> C :: 176.170 CA :: 54.423 CB :: 40.929 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 :: 8.603 HA :: 4.712 HB2 :: 2.871 HB3 :: 2.757 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.654 Ave N Shift Values>> N :: 120.65(3.86) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.07 R 0.02 C Shift Assignments>> C :: 176.411 CA :: 54.210 CB :: 41.123 CG :: 26.745 CD1 :: 23.311 CD2 :: 26.261 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.458 HA :: 4.362 HB2 :: 1.455 HB3 :: 1.233 HG :: 1.580 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.621 Ave N Shift Values>> N :: 121.86(3.9) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.060 CA :: 59.882 CB :: 64.220 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.226 HA :: 4.303 HB2 :: 4.031 HB3 :: 3.975 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 :: 115.113 Ave N Shift Values>> N :: 116.28(3.52) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.222 CA :: 45.330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.555 HA2 :: 4.259 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.362 Ave N Shift Values>> N :: 109.67(3.87) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.29 F 0.13 L 0.12 Y 0.12 C Shift Assignments>> C :: 176.440 CA :: 54.293 CB :: 39.693 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 :: 8.664 HA :: 4.846 HB2 :: 2.892 HB3 :: 2.669 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 120.65(3.86) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.442 CA :: 57.608 CB :: 40.461 CD1 :: 132.266 CD2 :: 132.266 CE1 :: 130.385 CE2 :: 130.385 CZ :: 128.755 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 :: 8.035 HA :: 4.738 HB2 :: 3.294 HB3 :: 3.014 HD1 :: 7.299 HD2 :: 7.299 HE1 :: 7.209 HE2 :: 7.209 HZ :: 7.339 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 :: 122.092 Ave N Shift Values>> N :: 120.45(4.18) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 G 0.01 C Shift Assignments>> C :: 176.419 CA :: 57.873 CB :: 42.098 CG :: 26.948 CD1 :: 23.720 CD2 :: 25.314 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.503 HA :: 3.309 HB2 :: 1.633 HB3 :: 1.029 HG :: 1.202 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.842 Ave N Shift Values>> N :: 121.86(3.9) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.31 N 0.09 F 0.08 Y 0.05 R 0.05 C Shift Assignments>> C :: 176.008 CA :: 53.771 CB :: 41.733 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 :: 8.045 HA :: 5.049 HB2 :: 3.033 HB3 :: 2.361 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 :: 111.761 Ave N Shift Values>> N :: 120.65(3.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 A 0.17 R 0.16 G 0.03 C Shift Assignments>> C :: 174.810 CA :: 54.437 CB :: 42.429 CG :: 26.872 CD1 :: 22.382 CD2 :: 26.158 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.204 HA :: 4.312 HB2 :: 1.772 HB3 :: 1.414 HG :: 1.792 HD11 :: 0.956 HD12 :: 0.956 HD13 :: 0.956 HD21 :: 1.062 HD22 :: 1.062 HD23 :: 1.062 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.077 Ave N Shift Values>> N :: 121.86(3.9) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.83 G 0.16 C Shift Assignments>> C :: 179.779 CA :: 55.493 CB :: 30.044 CG :: 28.328 CD :: 43.536 CZ :: 159.946 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 :: 8.454 HA :: 4.737 HB2 :: 2.174 HB3 :: 1.861 HG2 :: 1.943 HG3 :: 1.628 HD2 :: 3.446 HD3 :: 3.346 HE :: 7.986 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.164 NE :: 85.117 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.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.746 CA :: 63.151 CB :: 37.941 CD1 :: 131.051 CD2 :: 131.051 CE1 :: 130.966 CE2 :: 130.966 CZ :: 127.590 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 :: 8.483 HA :: 4.376 HB2 :: 3.589 HB3 :: 3.084 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 6.922 HE2 :: 6.922 HZ :: 6.884 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 :: 123.247 Ave N Shift Values>> N :: 120.45(4.18) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 I 0.22 M 0.04 C Shift Assignments>> C :: 178.576 CA :: 59.125 CB :: 29.362 CG :: 35.540 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.546 HA :: 4.362 HB2 :: 2.260 HB3 :: 2.136 HG2 :: 2.505 HG3 :: 2.505 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.083 Ave N Shift Values>> N :: 120.67(3.48) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 F 0.22 D 0.22 Y 0.17 R 0.04 N 0.02 I 0.02 C Shift Assignments>> C :: 177.908 CA :: 56.469 CB :: 41.421 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.557 HA :: 4.808 HB2 :: 3.090 HB3 :: 2.995 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.251 Ave N Shift Values>> N :: 120.65(3.86) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.038 CA :: 61.926 CB :: 38.650 CG1 :: 27.323 CG2 :: 18.970 CD1 :: 13.897 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 :: 7.710 HA :: 4.670 HB :: 2.460 HG12 :: 1.825 HG13 :: 1.542 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 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 :: 112.834 Ave N Shift Values>> N :: 121.46(4.28) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.475 CA :: 46.413 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.711 HA2 :: 4.261 HA3 :: 3.876 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.006 Ave N Shift Values>> N :: 109.67(3.87) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.405 CA :: 58.189 CB :: 40.346 CD1 :: 131.947 CD2 :: 131.947 CE1 :: 118.099 CE2 :: 118.099 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 :: 8.058 HA :: 4.590 HB2 :: 3.010 HB3 :: 2.771 HD1 :: 6.967 HD2 :: 6.967 HE1 :: 6.755 HE2 :: 6.755 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 :: 121.563 Ave N Shift Values>> N :: 120.52(4.2) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 L 0.27 N 0.15 F 0.05 Y 0.03 R 0.03 C Shift Assignments>> C :: 175.715 CA :: 52.539 CB :: 41.666 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.967 HA :: 4.752 HB2 :: 3.309 HB3 :: 2.863 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.356 Ave N Shift Values>> N :: 120.65(3.86) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 176.044 CA :: 60.476 CB :: 65.892 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.917 HA :: 4.272 HB2 :: 4.187 HB3 :: 4.350 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.681 Ave N Shift Values>> N :: 116.28(3.52) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 C Shift Assignments>> C :: 179.100 CA :: 58.471 CB :: 41.158 CG :: 27.426 CD1 :: 24.728 CD2 :: 24.654 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.754 HA :: 4.275 HB2 :: 1.876 HB3 :: 1.827 HG :: 1.731 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 1.055 HD22 :: 1.055 HD23 :: 1.055 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.981 Ave N Shift Values>> N :: 121.86(3.9) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.47 I 0.03 C Shift Assignments>> C :: 181.876 CA :: 55.088 CB :: 18.535 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.157 HA :: 4.309 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.205 Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 178.457 CA :: 58.457 CB :: 41.635 CG :: 27.057 CD1 :: 23.420 CD2 :: 23.718 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.459 HA :: 3.886 HB2 :: 1.626 HB3 :: 1.521 HG :: 1.348 HD11 :: 0.204 HD12 :: 0.204 HD13 :: 0.204 HD21 :: 0.357 HD22 :: 0.357 HD23 :: 0.357 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.309 Ave N Shift Values>> N :: 121.86(3.9) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 E 0.01 HN Overlap>> 1.A50 1.A50 C Shift Assignments>> C :: 179.731 CA :: 58.808 CB :: 32.156 CG :: 32.314 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.233 HA :: 4.256 HB2 :: 2.340 HB3 :: 2.295 HG2 :: 2.844 HG3 :: 2.754 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.415 Ave N Shift Values>> N :: 120.09(3.57) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 I 0.28 M 0.02 R 0.01 C Shift Assignments>> C :: 179.279 CA :: 59.389 CB :: 29.070 CG :: 35.488 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 :: 8.492 HA :: 4.231 HB2 :: 2.347 HB3 :: 2.206 HG2 :: 2.621 HG3 :: 2.469 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.615 Ave N Shift Values>> N :: 120.67(3.48) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.284 CA :: 67.993 CB :: 68.538 CG2 :: 20.672 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 :: 8.315 HA :: 3.958 HB :: 4.410 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 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 :: 118.603 Ave N Shift Values>> N :: 115.42(4.75) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.15 I 0.1 C Shift Assignments>> C :: 178.611 CA :: 56.309 CB :: 17.601 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.761 HA :: 3.951 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.665 Ave N Shift Values>> N :: 123.23(3.54) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.05 HN Overlap>> 1.M46 1.M46 C Shift Assignments>> C :: 181.249 CA :: 55.457 CB :: 18.054 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.225 HA :: 4.255 HB1 :: 1.648 HB2 :: 1.648 HB3 :: 1.648 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.430 Ave N Shift Values>> N :: 123.23(3.54) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.2 C Shift Assignments>> C :: 179.749 CA :: 59.640 CB :: 30.416 CG :: 28.289 CD :: 43.623 CZ :: 159.685 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 :: 8.104 HA :: 4.237 HB2 :: 2.196 HB3 :: 2.034 HG2 :: 1.980 HG3 :: 1.733 HD2 :: 3.443 HD3 :: 3.305 HE :: 7.547 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.478 NE :: 84.783 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.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.2 G 0.04 C Shift Assignments>> C :: 179.130 CA :: 58.219 CB :: 42.640 CG :: 26.730 CD1 :: 26.421 CD2 :: 23.613 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.398 HA :: 4.310 HB2 :: 2.213 HB3 :: 1.448 HG :: 2.036 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 1.035 HD22 :: 1.035 HD23 :: 1.035 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.449 Ave N Shift Values>> N :: 121.86(3.9) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.35 R 0.05 M 0.03 C Shift Assignments>> C :: 179.275 CA :: 60.120 CB :: 28.968 CG :: 34.683 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 :: 8.984 HA :: 4.085 HB2 :: 2.518 HB3 :: 2.360 HG2 :: 2.763 HG3 :: 2.315 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.361 Ave N Shift Values>> N :: 120.67(3.48) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.929 CA :: 61.159 CB :: 63.262 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.033 HA :: 4.387 HB2 :: 4.108 HB3 :: 4.108 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.833 Ave N Shift Values>> N :: 116.28(3.52) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 G 0.15 C Shift Assignments>> C :: 177.829 CA :: 58.846 CB :: 30.797 CG :: 26.945 CD :: 43.547 CZ :: 159.975 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 :: 8.055 HA :: 4.094 HB2 :: 1.897 HB3 :: 1.617 HG2 :: 1.370 HG3 :: 0.988 HD2 :: 3.097 HD3 :: 3.016 HE :: 7.180 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.592 NE :: 84.811 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.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.969 CA :: 59.155 CB :: 39.299 CD1 :: 132.834 CD2 :: 132.834 CE1 :: 117.977 CE2 :: 117.977 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 :: 8.123 HA :: 4.680 HB2 :: 3.457 HB3 :: 2.785 HD1 :: 7.435 HD2 :: 7.435 HE1 :: 6.807 HE2 :: 6.807 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 :: 113.514 Ave N Shift Values>> N :: 120.52(4.2) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 174.608 CA :: 47.354 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.961 HA2 :: 4.090 HA3 :: 4.090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.493 Ave N Shift Values>> N :: 109.67(3.87) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> C :: 174.039 CA :: 59.358 CB :: 34.766 CG1 :: 19.515 CG2 :: 21.598 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 :: 7.524 HA :: 4.684 HB :: 2.137 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 112.308 Ave N Shift Values>> N :: 121.14(4.54) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.591 CA :: 57.238 CB :: 64.332 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.483 HA :: 4.838 HB2 :: 3.797 HB3 :: 3.751 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.747 Ave N Shift Values>> N :: 116.28(3.52) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.06 C Shift Assignments>> CA :: 57.804 CB :: 40.538 CG1 :: 27.050 CG2 :: 17.451 CD1 :: 13.878 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.112 HA :: 4.662 HB :: 1.783 HG12 :: 1.474 HG13 :: 1.106 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.380 Ave N Shift Values>> N :: 121.46(4.28) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.504 CA :: 63.581 CB :: 32.700 CG :: 27.938 CD :: 51.436 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 :: 4.530 HB2 :: 2.541 HB3 :: 2.061 HG2 :: 2.136 HG3 :: 2.136 HD2 :: 4.009 HD3 :: 3.573 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.27 L 0.16 D 0.15 I 0.05 N 0.02 C Shift Assignments>> C :: 177.208 CA :: 57.235 CB :: 40.545 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 :: 8.833 HA :: 4.457 HB2 :: 2.840 HB3 :: 2.754 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.270 Ave N Shift Values>> N :: 120.65(3.86) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.23 F 0.18 Y 0.17 L 0.12 I 0.01 C Shift Assignments>> C :: 177.163 CA :: 55.035 CB :: 39.547 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 :: 8.631 HA :: 4.514 HB2 :: 2.823 HB3 :: 2.749 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 :: 116.439 Ave N Shift Values>> N :: 120.65(3.86) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.599 CA :: 65.062 CB :: 32.362 CG1 :: 21.208 CG2 :: 21.891 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 :: 7.393 HA :: 3.816 HB :: 2.207 HG11 :: 0.974 HG12 :: 0.974 HG13 :: 0.974 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.954 Ave N Shift Values>> N :: 121.14(4.54) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 I 0.03 C Shift Assignments>> C :: 177.920 CA :: 55.142 CB :: 18.661 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.211 HA :: 3.971 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.103 Ave N Shift Values>> N :: 123.23(3.54) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.307 CA :: 45.898 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.024 HA2 :: 4.108 HA3 :: 3.873 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.021 Ave N Shift Values>> N :: 109.67(3.87) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.2 C Shift Assignments>> C :: 176.486 CA :: 55.688 CB :: 31.845 CG :: 27.436 CD :: 43.770 CZ :: 159.694 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.441 HA :: 4.625 HB2 :: 2.082 HB3 :: 1.856 HG2 :: 1.751 HG3 :: 1.751 HD2 :: 3.273 HD3 :: 3.273 HE :: 7.385 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.402 NE :: 85.084 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.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.165 CA :: 61.824 CB :: 33.380 CG1 :: 23.191 CG2 :: 20.100 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 :: 7.261 HA :: 4.439 HB :: 2.411 HG11 :: 1.136 HG12 :: 1.136 HG13 :: 1.136 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 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 :: 114.598 Ave N Shift Values>> N :: 121.14(4.54) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.27 G 0.21 D 0.06 F 0.05 Y 0.02 C Shift Assignments>> C :: 176.802 CA :: 55.709 CB :: 44.157 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.075 HA :: 5.265 HB2 :: 3.018 HB3 :: 2.887 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 :: 120.504 Ave N Shift Values>> N :: 120.65(3.86) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 A 0.07 C Shift Assignments>> CA :: 57.822 CB :: 71.375 CG2 :: 21.675 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.468 HA :: 4.965 HB :: 4.624 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.904 Ave N Shift Values>> N :: 115.42(4.75) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.370 CA :: 65.833 CB :: 32.630 CG :: 26.747 CD :: 51.878 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 :: 4.230 HB2 :: 2.247 HB3 :: 2.015 HG2 :: 2.176 HG3 :: 1.302 HD2 :: 4.027 HD3 :: 2.800 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.91 G 0.08 C Shift Assignments>> C :: 177.579 CA :: 60.257 CB :: 30.469 CG :: 27.562 CD :: 42.913 CZ :: 159.416 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 :: 8.991 HA :: 3.609 HB2 :: 1.865 HB3 :: 1.605 HG2 :: 1.662 HG3 :: 1.514 HD2 :: 3.494 HD3 :: 3.019 HE :: 9.062 HH11 :: 6.886 HH12 :: 6.886 HH21 :: 6.886 HH22 :: 6.886 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.708 NE :: 83.485 NH1 :: 71.217 NH2 :: 71.217 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.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 I 0.22 M 0.06 C Shift Assignments>> C :: 180.094 CA :: 59.069 CB :: 29.881 CG :: 36.349 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.833 HA :: 4.237 HB2 :: 2.468 HB3 :: 2.274 HG2 :: 2.641 HG3 :: 2.513 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 :: 116.546 Ave N Shift Values>> N :: 120.67(3.48) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 G 0.03 A 0.01 C Shift Assignments>> C :: 176.990 CA :: 58.205 CB :: 42.213 CG :: 26.279 CD1 :: 22.453 CD2 :: 22.453 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.704 HA :: 4.308 HB2 :: 2.421 HB3 :: 1.703 HG :: 0.980 HD11 :: 1.068 HD12 :: 1.068 HD13 :: 1.068 HD21 :: 1.068 HD22 :: 1.068 HD23 :: 1.068 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.460 Ave N Shift Values>> N :: 121.86(3.9) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 G 0.03 C Shift Assignments>> C :: 178.096 CA :: 58.495 CB :: 42.370 CG :: 26.501 CD1 :: 24.781 CD2 :: 26.456 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.727 HA :: 3.889 HB2 :: 2.194 HB3 :: 1.552 HG :: 1.691 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.002 Ave N Shift Values>> N :: 121.86(3.9) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.14 L 0.12 I 0.06 N 0.04 HN Overlap>> 1.T3 1.T3 C Shift Assignments>> C :: 180.042 CA :: 57.026 CB :: 39.923 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 :: 8.691 HA :: 4.485 HB2 :: 2.773 HB3 :: 2.714 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.470 Ave N Shift Values>> N :: 120.65(3.86) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.12 G 0.06 C Shift Assignments>> C :: 179.833 CA :: 58.395 CB :: 42.851 CG :: 27.097 CD1 :: 25.189 CD2 :: 25.189 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.005 HA :: 4.275 HB2 :: 2.030 HB3 :: 1.909 HG :: 1.825 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.916 Ave N Shift Values>> N :: 121.86(3.9) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 177.674 CA :: 64.695 CB :: 37.372 CG1 :: 28.892 CG2 :: 17.462 CD1 :: 13.371 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.269 HA :: 3.743 HB :: 1.938 HG12 :: 1.728 HG13 :: 1.286 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.755 Ave N Shift Values>> N :: 121.46(4.28) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 E 0.22 Y 0.2 F 0.14 M 0.08 D 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 179.445 CA :: 55.414 CB :: 37.289 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 :: 8.876 HA :: 4.907 HB2 :: 3.086 HB3 :: 2.768 HD21 :: 7.323 HD22 :: 7.672 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 :: 117.856 ND2 :: 107.769 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.715 CA :: 47.057 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.416 HA2 :: 4.022 HA3 :: 4.022 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.084 Ave N Shift Values>> N :: 109.67(3.87) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 I 0.01 C Shift Assignments>> C :: 180.491 CA :: 54.242 CB :: 18.513 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.578 HA :: 4.459 HB1 :: 1.628 HB2 :: 1.628 HB3 :: 1.628 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.026 Ave N Shift Values>> N :: 123.23(3.54) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.21 G 0.03 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 178.769 CA :: 56.930 CB :: 42.617 CG :: 27.127 CD1 :: 26.016 CD2 :: 23.830 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.274 HA :: 4.213 HB2 :: 2.014 HB3 :: 1.556 HG :: 1.843 HD11 :: 0.984 HD12 :: 0.984 HD13 :: 0.984 HD21 :: 0.987 HD22 :: 0.987 HD23 :: 0.987 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.879 Ave N Shift Values>> N :: 121.86(3.9) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 178.662 CA :: 53.982 CB :: 18.879 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.955 HA :: 4.281 HB1 :: 1.604 HB2 :: 1.604 HB3 :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.310 Ave N Shift Values>> N :: 123.23(3.54) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.74 M 0.2 I 0.04 C Shift Assignments>> C :: 176.276 CA :: 56.600 CB :: 30.099 CG :: 35.738 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.742 HA :: 4.392 HB2 :: 2.279 HB3 :: 2.126 HG2 :: 2.536 HG3 :: 2.471 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.051 Ave N Shift Values>> N :: 120.67(3.48) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 176.525 CA :: 52.462 CB :: 19.482 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.825 HA :: 4.474 HB1 :: 1.571 HB2 :: 1.571 HB3 :: 1.571 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.124 Ave N Shift Values>> N :: 123.23(3.54) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.12 L 0.05 V 0.01 C Shift Assignments>> CA :: 54.219 CB :: 20.050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.970 HA :: 4.224 HB1 :: 1.482 HB2 :: 1.482 HB3 :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.163 Ave N Shift Values>> N :: 123.23(3.54) 2.SXM1 Overall Status: Residue type SXM not supported. ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 85 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 86 #Suspicious: 0 C Shift Results: #Consistent: 362 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 577 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 92 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0