Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.64 A 0.34 C Shift Assignments>> C :: 176.363 CA :: 54.489 CB :: 32.712 CE :: 17.030 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HE1 :: 2.276 HE2 :: 2.276 HE3 :: 2.276 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.325 CA :: 62.716 CB :: 32.449 CG1 :: 21.276 CG2 :: 21.258 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.090 HA :: 4.334 HB :: 2.280 HG11 :: 1.155 HG12 :: 1.155 HG13 :: 1.155 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.321 Ave N Shift Values>> N :: 121.02(4.96) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.725 CA :: 45.485 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.616 HA2 :: 4.134 HA3 :: 4.314 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.346 Ave N Shift Values>> N :: 109.91(4.29) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.15 G 0.02 HN Overlap>> 1.I135 1.I135 C Shift Assignments>> C :: 178.435 CA :: 58.493 CB :: 42.043 CG :: 26.864 CD1 :: 24.324 CD2 :: 25.788 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.156 HA :: 3.806 HB2 :: 1.377 HB3 :: 2.041 HG :: 1.791 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.493 Ave N Shift Values>> N :: 121.98(4.07) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.352 CA :: 66.925 CB :: 68.376 CG2 :: 23.277 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.458 HA :: 4.328 HB :: 4.845 HG21 :: 1.908 HG22 :: 1.908 HG23 :: 1.908 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.487 Ave N Shift Values>> N :: 115.7(5.05) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 175.979 CA :: 67.142 CB :: 68.281 CG2 :: 22.325 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.683 HA :: 4.287 HB :: 4.465 HG21 :: 1.425 HG22 :: 1.425 HG23 :: 1.425 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.694 Ave N Shift Values>> N :: 115.7(5.05) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.15 G 0.01 C Shift Assignments>> C :: 178.919 CA :: 58.011 CB :: 41.881 CG :: 26.506 CD1 :: 26.596 CD2 :: 22.834 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.528 HA :: 4.086 HB2 :: 1.892 HB3 :: 1.164 HG :: 1.855 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.312 Ave N Shift Values>> N :: 121.98(4.07) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 F 0.27 C Shift Assignments>> C :: 179.305 CA :: 59.771 CB :: 36.927 CD1 :: 129.226 CD2 :: 129.226 CE1 :: 131.411 CE2 :: 131.411 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.203 HA :: 4.912 HD1 :: 7.137 HD2 :: 7.137 HE1 :: 6.712 HE2 :: 6.712 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.307 Ave N Shift Values>> N :: 120.69(4.18) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.96 H 0.03 C Shift Assignments>> C :: 179.204 CA :: 59.958 CB :: 30.114 CD1 :: 127.768 CE3 :: 120.065 CZ2 :: 114.506 CZ3 :: 120.042 CH2 :: 123.097 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.790 HA :: 4.934 HB2 :: 3.365 HB3 :: 3.677 HD1 :: 7.323 HE1 :: 10.319 HE3 :: 7.709 HZ2 :: 7.473 HZ3 :: 6.948 HH2 :: 7.092 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.161 NE1 :: 127.503 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 K 0.42 R 0.01 HN Overlap>> 1.I77 1.I77 C Shift Assignments>> C :: 179.275 CA :: 58.557 CB :: 41.207 CG :: 26.837 CD1 :: 24.422 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.367 HA :: 4.173 HB2 :: 1.894 HB3 :: 2.064 HG :: 1.966 HD11 :: 0.983 HD12 :: 0.983 HD13 :: 0.983 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.412 Ave N Shift Values>> N :: 121.98(4.07) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.553 CA :: 47.115 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.156 HA2 :: 3.357 HA3 :: 3.357 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.586 Ave N Shift Values>> N :: 109.91(4.29) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.09 V 0.01 C Shift Assignments>> C :: 179.818 CA :: 56.130 CB :: 18.036 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.554 HA :: 4.230 HB1 :: 1.812 HB2 :: 1.812 HB3 :: 1.812 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.598 Ave N Shift Values>> N :: 123.23(3.7) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.339 CA :: 64.614 CB :: 37.432 CG1 :: 29.478 CG2 :: 17.241 CD1 :: 12.636 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.012 HA :: 3.847 HB :: 2.143 HG12 :: 1.382 HG13 :: 2.069 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.765 Ave N Shift Values>> N :: 121.6(4.72) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 P 0.09 A 0.05 L 0.03 N 0.02 C Shift Assignments>> C :: 175.146 CA :: 47.659 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.849 HA2 :: 3.712 HA3 :: 3.712 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.025 Ave N Shift Values>> N :: 109.91(4.29) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.15 V 0.13 I 0.13 C Shift Assignments>> C :: 181.077 CA :: 57.121 CB :: 30.113 CE :: 19.690 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.516 HA :: 4.460 HE1 :: 2.197 HE2 :: 2.197 HE3 :: 2.197 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.087 Ave N Shift Values>> N :: 120.1(3.88) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 K 0.06 G 0.01 C Shift Assignments>> C :: 178.165 CA :: 58.440 CB :: 41.911 CD1 :: 24.989 CD2 :: 23.406 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.994 HA :: 4.110 HB2 :: 1.972 HB3 :: 2.117 HD11 :: 0.993 HD12 :: 0.993 HD13 :: 0.993 HD21 :: 0.994 HD22 :: 0.994 HD23 :: 0.994 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.293 Ave N Shift Values>> N :: 121.98(4.07) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V138 1.V138 C Shift Assignments>> C :: 177.932 CA :: 67.286 CB :: 30.810 CG1 :: 21.486 CG2 :: 22.997 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.668 HA :: 3.601 HB :: 2.399 HG11 :: 0.999 HG12 :: 0.999 HG13 :: 0.999 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.238 Ave N Shift Values>> N :: 121.02(4.96) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 172.171 CA :: 47.686 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.971 HA2 :: 3.558 HA3 :: 3.558 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.601 Ave N Shift Values>> N :: 109.91(4.29) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 T 0.32 I 0.01 HN Overlap>> 1.L141 1.L141 C Shift Assignments>> CA :: 68.240 CG2 :: 21.363 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.418 HA :: 4.842 HB :: 4.608 HG21 :: 1.429 HG22 :: 1.429 HG23 :: 1.429 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.322 Ave N Shift Values>> N :: 115.7(5.05) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 C Shift Assignments>> C :: 178.200 CA :: 57.970 CB :: 41.484 CG :: 26.764 CD1 :: 22.765 CD2 :: 25.235 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.232 HA :: 4.127 HB2 :: 1.531 HB3 :: 2.061 HG :: 2.069 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.072 Ave N Shift Values>> N :: 121.98(4.07) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.29 I 0.05 C Shift Assignments>> C :: 180.160 CA :: 55.509 CB :: 17.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.182 HA :: 4.247 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 123.23(3.7) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.36 C Shift Assignments>> C :: 178.064 CA :: 58.324 CB :: 37.253 CD1 :: 131.971 CD2 :: 131.971 CE1 :: 131.815 CE2 :: 131.815 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.751 HA :: 4.880 HB2 :: 3.363 HB3 :: 3.533 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 7.142 HE2 :: 7.142 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.331 Ave N Shift Values>> N :: 120.69(4.18) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.42 I 0.03 HN Overlap>> 1.R66 1.K157 1.A111 1.R66 1.K157 1.A111 C Shift Assignments>> C :: 179.392 CA :: 54.809 CB :: 17.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.594 HA :: 4.221 HB1 :: 1.701 HB2 :: 1.701 HB3 :: 1.701 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.566 Ave N Shift Values>> N :: 123.23(3.7) 1.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 179.822 CA :: 60.535 CB :: 29.317 CD1 :: 125.995 CE3 :: 119.704 CZ2 :: 114.586 CZ3 :: 121.319 CH2 :: 124.344 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.794 HA :: 4.347 HB2 :: 3.529 HB3 :: 3.640 HD1 :: 7.271 HE1 :: 10.360 HE3 :: 7.629 HZ2 :: 7.624 HZ3 :: 7.167 HH2 :: 7.323 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.880 NE1 :: 128.919 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.45 I 0.01 C Shift Assignments>> C :: 179.088 CA :: 54.553 CB :: 18.886 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.759 HA :: 4.074 HB1 :: 1.891 HB2 :: 1.891 HB3 :: 1.891 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.186 Ave N Shift Values>> N :: 123.23(3.7) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.440 CA :: 44.734 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.818 HA2 :: 3.032 HA3 :: 3.161 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.977 Ave N Shift Values>> N :: 109.91(4.29) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.15 K 0.13 Q 0.12 I 0.11 H 0.11 R 0.1 M 0.02 V 0.02 L 0.01 HN Overlap>> 1.V118 1.V118 C Shift Assignments>> C :: 176.151 CA :: 59.003 CB :: 29.169 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.366 HA :: 4.039 HB2 :: 1.768 HB3 :: 1.900 HG2 :: 1.474 HG3 :: 1.644 HD2 :: 3.057 HD3 :: 3.165 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.002 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.17 K 0.07 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.963 CA :: 53.081 CB :: 40.852 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.923 HA :: 4.948 HB2 :: 2.532 HB3 :: 2.830 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.175 Ave N Shift Values>> N :: 120.73(4.2) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 L 0.01 C Shift Assignments>> C :: 178.642 CA :: 52.461 CB :: 19.811 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.324 HA :: 4.336 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.363 Ave N Shift Values>> N :: 123.23(3.7) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.25 R 0.22 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.076 CA :: 44.344 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.874 HA2 :: 4.145 HA3 :: 4.147 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.736 Ave N Shift Values>> N :: 109.91(4.29) 1.S31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S95 1.S95 H Shift Assignments>> H :: 8.753 HA :: 4.710 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.719 Ave N Shift Values>> N :: 116.3(3.95) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 175.442 CA :: 46.267 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.102 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.982 Ave N Shift Values>> N :: 109.91(4.29) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 W 0.16 E 0.16 H 0.15 Q 0.11 M 0.1 K 0.09 V 0.02 I 0.02 C Shift Assignments>> C :: 178.491 CA :: 57.258 CB :: 30.730 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.201 HB2 :: 1.911 HB3 :: 2.088 HG2 :: 2.502 HG3 :: 2.502 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.265 Ave N Shift Values>> N :: 120.68(3.68) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 W 0.19 E 0.11 R 0.09 V 0.08 H 0.07 K 0.07 Q 0.06 P 0.03 M 0.01 HN Overlap>> 1.A216 1.A195 1.E225 1.A216 1.A195 1.E225 C Shift Assignments>> C :: 177.833 CA :: 60.689 CB :: 29.625 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.353 HA :: 4.773 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.275 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.15 K 0.14 Q 0.13 H 0.11 I 0.11 R 0.1 M 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 178.510 CA :: 58.841 CB :: 29.053 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.493 HA :: 4.245 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.086 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.R162 1.R162 C Shift Assignments>> C :: 177.695 CA :: 62.066 CB :: 37.465 CD1 :: 132.033 CD2 :: 132.033 CE1 :: 118.349 CE2 :: 118.349 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.725 HA :: 4.099 HB2 :: 2.906 HB3 :: 2.990 HD1 :: 6.691 HD2 :: 6.691 HE1 :: 6.627 HE2 :: 6.627 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.149 Ave N Shift Values>> N :: 120.79(4.69) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.356 CA :: 62.678 CB :: 38.422 CD1 :: 132.452 CD2 :: 132.452 CE1 :: 118.261 CE2 :: 118.261 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.383 HA :: 4.296 HB2 :: 3.158 HB3 :: 3.274 HD1 :: 7.361 HD2 :: 7.361 HE1 :: 6.871 HE2 :: 6.871 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.158 Ave N Shift Values>> N :: 120.79(4.69) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.535 CA :: 66.739 CB :: 31.340 CG1 :: 21.748 CG2 :: 23.239 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.796 HA :: 3.778 HB :: 2.305 HG11 :: 1.171 HG12 :: 1.171 HG13 :: 1.171 HG21 :: 1.292 HG22 :: 1.292 HG23 :: 1.292 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.057 Ave N Shift Values>> N :: 121.02(4.96) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.A172 1.A172 C Shift Assignments>> C :: 175.958 CA :: 68.889 CB :: 67.835 CG2 :: 23.941 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.728 HA :: 4.041 HB :: 4.747 HG21 :: 1.751 HG22 :: 1.751 HG23 :: 1.751 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.513 Ave N Shift Values>> N :: 115.7(5.05) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.04 R 0.01 C Shift Assignments>> C :: 178.734 CA :: 58.361 CB :: 40.533 CG :: 25.772 CD1 :: 21.852 CD2 :: 25.294 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.531 HA :: 4.152 HB2 :: 1.008 HB3 :: 2.073 HG :: 2.078 HD11 :: 0.412 HD12 :: 0.412 HD13 :: 0.412 HD21 :: 0.515 HD22 :: 0.515 HD23 :: 0.515 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.372 Ave N Shift Values>> N :: 121.98(4.07) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 178.300 CA :: 66.756 CB :: 31.229 CG1 :: 21.593 CG2 :: 23.923 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.318 HA :: 4.078 HB :: 2.587 HG11 :: 1.163 HG12 :: 1.163 HG13 :: 1.163 HG21 :: 1.460 HG22 :: 1.460 HG23 :: 1.460 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.530 Ave N Shift Values>> N :: 121.02(4.96) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 173.915 CA :: 47.601 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.567 HA2 :: 3.682 HA3 :: 3.876 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.884 Ave N Shift Values>> N :: 109.91(4.29) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R123 1.R123 C Shift Assignments>> C :: 176.163 CA :: 65.973 CB :: 37.980 CG2 :: 16.759 CD1 :: 14.574 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.299 HA :: 3.670 HB :: 2.053 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.666 Ave N Shift Values>> N :: 121.6(4.72) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.002 CA :: 61.356 CB :: 63.573 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.004 HA :: 4.633 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.077 Ave N Shift Values>> N :: 116.3(3.95) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 P 0.04 L 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 175.923 CA :: 47.485 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.071 HA2 :: 3.800 HA3 :: 4.024 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.906 Ave N Shift Values>> N :: 109.91(4.29) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.626 CA :: 65.784 CB :: 36.491 CG1 :: 30.650 CG2 :: 17.465 CD1 :: 12.780 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.229 HA :: 3.632 HB :: 2.021 HG12 :: 1.729 HG13 :: 2.059 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.868 Ave N Shift Values>> N :: 121.6(4.72) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.03 V 0.01 C Shift Assignments>> C :: 180.263 CA :: 55.184 CB :: 18.717 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.899 HA :: 4.630 HB1 :: 1.985 HB2 :: 1.985 HB3 :: 1.985 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.157 Ave N Shift Values>> N :: 123.23(3.7) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.19 I 0.09 C Shift Assignments>> C :: 179.464 CA :: 56.067 CB :: 17.568 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.645 HA :: 4.240 HB1 :: 1.687 HB2 :: 1.687 HB3 :: 1.687 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.316 Ave N Shift Values>> N :: 123.23(3.7) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.270 CA :: 66.757 CB :: 31.159 CG1 :: 21.721 CG2 :: 22.806 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.688 HA :: 3.608 HB :: 2.432 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.846 Ave N Shift Values>> N :: 121.02(4.96) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.25 I 0.06 V 0.03 T 0.01 C Shift Assignments>> C :: 179.666 CA :: 56.107 CB :: 18.888 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.553 HA :: 3.801 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.707 Ave N Shift Values>> N :: 123.23(3.7) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.102 CA :: 64.787 CB :: 36.816 CD1 :: 132.492 CD2 :: 132.492 CE1 :: 118.122 CE2 :: 118.122 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.965 HA :: 3.884 HB2 :: 2.952 HB3 :: 3.487 HD1 :: 7.590 HD2 :: 7.590 HE1 :: 7.149 HE2 :: 7.149 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.706 Ave N Shift Values>> N :: 120.79(4.69) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.03 C Shift Assignments>> C :: 178.624 CA :: 54.905 CB :: 17.900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.318 HA :: 3.607 HB1 :: 1.602 HB2 :: 1.602 HB3 :: 1.602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.849 Ave N Shift Values>> N :: 123.23(3.7) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 178.694 CA :: 66.619 CB :: 30.907 CG1 :: 22.461 CG2 :: 22.808 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.420 HA :: 3.677 HB :: 2.306 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.833 Ave N Shift Values>> N :: 121.02(4.96) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 M 0.2 C Shift Assignments>> C :: 180.603 CA :: 60.502 CB :: 29.973 CE :: 15.343 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.682 HA :: 4.386 HE1 :: 1.271 HE2 :: 1.271 HE3 :: 1.271 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.032 Ave N Shift Values>> N :: 120.1(3.88) 1.A55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.86 A 0.06 I 0.06 HN Overlap>> 1.L137 1.L137 C Shift Assignments>> C :: 178.577 CA :: 55.314 CB :: 14.925 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.433 HA :: 4.082 HB1 :: 0.198(S) HB2 :: 0.198(S) HB3 :: 0.198(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.882 Ave N Shift Values>> N :: 123.23(3.7) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.05 A 0.03 G 0.01 C Shift Assignments>> C :: 177.381 CA :: 54.774 CB :: 41.826 CG :: 26.321 CD1 :: 25.772 CD2 :: 23.334 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.419 HA :: 4.397 HB2 :: 1.848 HB3 :: 2.071 HG :: 2.160 HD11 :: 1.059 HD12 :: 1.059 HD13 :: 1.059 HD21 :: 1.295 HD22 :: 1.295 HD23 :: 1.295 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.114 Ave N Shift Values>> N :: 121.98(4.07) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.25 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.034 CA :: 44.324 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.179 HA2 :: 3.767 HA3 :: 3.767 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.317 Ave N Shift Values>> N :: 109.91(4.29) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.724 CA :: 62.338 CB :: 31.471 CG1 :: 21.186 CG2 :: 21.564 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.780 HA :: 3.990 HB :: 2.061 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.958 Ave N Shift Values>> N :: 121.02(4.96) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.840 CA :: 45.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.927 HA2 :: 3.697 HA3 :: 3.697 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.260 Ave N Shift Values>> N :: 109.91(4.29) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 176.051 CA :: 54.906 CB :: 26.951 CD1 :: 123.002 CE3 :: 120.939 CZ2 :: 113.696 CZ3 :: 122.023 CH2 :: 125.070 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.516 HA :: 5.173 HB2 :: 3.043 HB3 :: 3.656 HD1 :: 7.150 HE1 :: 10.285 HE3 :: 7.860 HZ2 :: 7.738 HZ3 :: 7.496 HH2 :: 7.531 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.898 NE1 :: 126.794 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 173.658 CA :: 59.797 CB :: 34.497 CG1 :: 20.850 CG2 :: 22.072 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.171 HA :: 4.778 HB :: 2.201 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.023 Ave N Shift Values>> N :: 121.02(4.96) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.33 P 0.32 I 0.12 W 0.09 R 0.03 E 0.03 H 0.01 K 0.01 M 0.01 C Shift Assignments>> C :: 177.126 CA :: 62.159 CB :: 31.313 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.127 HB2 :: 2.139 HB3 :: 2.363 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.817 CA :: 62.123 CB :: 34.389 CG1 :: 20.504 CG2 :: 21.318 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.635 HA :: 4.069 HB :: 1.883 HG11 :: 0.827 HG12 :: 0.827 HG13 :: 0.827 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.521 Ave N Shift Values>> N :: 121.02(4.96) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 177.236 CA :: 54.191 CB :: 17.261 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.917 HA :: 4.024 HB1 :: 1.649 HB2 :: 1.649 HB3 :: 1.649 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.584 Ave N Shift Values>> N :: 123.23(3.7) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.16 R 0.16 H 0.12 W 0.11 E 0.1 L 0.08 I 0.04 M 0.01 HN Overlap>> 1.I102 1.I121 1.I102 1.I121 C Shift Assignments>> C :: 176.034 CA :: 56.960 CB :: 28.188 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.596 HA :: 4.554 HB2 :: 2.417 HB3 :: 2.417 HG2 :: 2.216 HG3 :: 2.216 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.516 Ave N Shift Values>> N :: 120.68(3.68) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 K 0.16 H 0.15 R 0.14 W 0.11 E 0.07 Q 0.07 HN Overlap>> 1.K157 1.A111 1.A23 1.K157 1.A111 1.A23 C Shift Assignments>> C :: 175.175 CA :: 54.372 CB :: 31.892 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.690 HA :: 4.971 HD2 :: 3.161 HD3 :: 3.195 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I197 1.I197 C Shift Assignments>> C :: 173.399 CA :: 62.502 CB :: 69.772 CG2 :: 21.746 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.126 HA :: 4.528 HB :: 3.563 HG21 :: 0.609 HG22 :: 0.609 HG23 :: 0.609 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.397 Ave N Shift Values>> N :: 115.7(5.05) 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 :: 174.589 CA :: 60.878 CB :: 32.737 CG1 :: 21.339 CG2 :: 21.758 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.302 HA :: 4.051 HB :: 2.177 HG11 :: 1.040 HG12 :: 1.040 HG13 :: 1.040 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.632 Ave N Shift Values>> N :: 121.02(4.96) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.117 CA :: 55.418 CB :: 38.208 CD1 :: 131.132 CD2 :: 131.132 CE1 :: 130.726 CE2 :: 130.726 CZ :: 128.371 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.125 HA :: 5.102 HB2 :: 2.767 HB3 :: 3.215 HD1 :: 6.727 HD2 :: 6.727 HE1 :: 6.330 HE2 :: 6.330 HZ :: 6.687 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.002 Ave N Shift Values>> N :: 120.69(4.18) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 68.504 CB :: 30.260 CG1 :: 21.791 CG2 :: 24.294 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.759 HA :: 3.950 HB :: 2.548 HG11 :: 1.161 HG12 :: 1.161 HG13 :: 1.161 HG21 :: 1.411 HG22 :: 1.411 HG23 :: 1.411 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.936 Ave N Shift Values>> N :: 121.02(4.96) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.3 S 0.21 T 0.19 I 0.14 P 0.13 C Shift Assignments>> C :: 174.873 CA :: 65.883 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 W 0.15 Q 0.15 H 0.14 K 0.14 R 0.12 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 174.792 CA :: 57.371 CB :: 29.420 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.547 HA :: 3.773 HG2 :: 1.810 HG3 :: 1.810 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.901 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.663 CA :: 60.680 CB :: 37.493 CD1 :: 132.612 CD2 :: 132.612 CE1 :: 117.762 CE2 :: 117.762 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.364 HA :: 3.963 HB2 :: 2.480 HB3 :: 3.535 HD1 :: 7.057 HD2 :: 7.057 HE1 :: 6.825 HE2 :: 6.825 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 111.964 Ave N Shift Values>> N :: 120.79(4.69) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.979 CA :: 64.130 CB :: 36.017 CG1 :: 27.868 CG2 :: 17.281 CD1 :: 11.421 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.204 HA :: 3.517 HB :: 1.819 HG12 :: 1.208 HG13 :: 1.434 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.135 Ave N Shift Values>> N :: 121.6(4.72) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 D 0.13 L 0.09 I 0.07 N 0.04 K 0.03 E 0.01 HN Overlap>> 1.T6 1.T6 C Shift Assignments>> C :: 177.988 CA :: 57.073 CB :: 39.700 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.750 HA :: 3.961 HB2 :: 2.494 HB3 :: 3.209 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.691 Ave N Shift Values>> N :: 120.73(4.2) 1.W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.93 H 0.06 HN Overlap>> 1.S148 1.N105 1.S148 1.N105 C Shift Assignments>> C :: 180.725 CA :: 58.568 CB :: 28.622 CZ2 :: 114.574 CH2 :: 122.600 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.130 HA :: 4.407 HD1 :: 7.059 HE1 :: 9.802 HZ2 :: 7.777 HH2 :: 7.418 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.647 NE1 :: 126.916 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 174.111 CA :: 65.767 CB :: 37.911 CG1 :: 31.700 CG2 :: 16.640 CD1 :: 14.428 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.470 HA :: 3.662 HB :: 2.047 HG12 :: 1.099 HG13 :: 2.048 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.413 Ave N Shift Values>> N :: 121.6(4.72) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 G 0.22 R 0.05 A 0.05 C Shift Assignments>> C :: 177.864 CA :: 56.204 CB :: 43.740 CG :: 25.772 CD1 :: 25.817 CD2 :: 22.310 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.701 HA :: 4.521 HB2 :: 1.480 HB3 :: 2.305 HG :: 2.140 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.111 Ave N Shift Values>> N :: 121.98(4.07) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.128 CA :: 65.268 CB :: 70.322 CG2 :: 23.844 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.955 HA :: 4.370 HB :: 4.199 HG21 :: 1.714 HG22 :: 1.714 HG23 :: 1.714 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.815 Ave N Shift Values>> N :: 115.7(5.05) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 T 0.31 I 0.02 C Shift Assignments>> CA :: 67.982 CG2 :: 20.806 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.326 HA :: 4.378 HG21 :: 0.451 HG22 :: 0.451 HG23 :: 0.451 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.724 Ave N Shift Values>> N :: 115.7(5.05) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 I 0.28 P 0.27 W 0.01 C Shift Assignments>> C :: 178.802 CA :: 66.063 CB :: 30.237 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.480 HD2 :: 3.701 HD3 :: 3.701 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 A 0.01 C Shift Assignments>> C :: 179.194 CA :: 57.540 CB :: 41.036 CG :: 26.725 CD1 :: 22.885 CD2 :: 25.524 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.924 HA :: 4.443 HG :: 2.296 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 1.073 HD22 :: 1.073 HD23 :: 1.073 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.857 Ave N Shift Values>> N :: 121.98(4.07) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.374 CA :: 66.111 CB :: 37.275 CG1 :: 29.893 CG2 :: 17.482 CD1 :: 14.392 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.954 HA :: 4.375 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 HD11 :: 1.127 HD12 :: 1.127 HD13 :: 1.127 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.808 Ave N Shift Values>> N :: 121.6(4.72) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V41 1.V41 C Shift Assignments>> C :: 178.277 CA :: 67.314 CB :: 31.030 CG1 :: 23.208 CG2 :: 23.356 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.285 HA :: 3.776 HB :: 2.350 HG11 :: 1.070 HG12 :: 1.070 HG13 :: 1.070 HG21 :: 1.287 HG22 :: 1.287 HG23 :: 1.287 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.501 Ave N Shift Values>> N :: 121.02(4.96) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.282 CA :: 60.851 CB :: 38.154 CD1 :: 132.610 CD2 :: 132.610 CE1 :: 117.734 CE2 :: 117.734 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.147 HA :: 4.665 HB2 :: 3.369 HB3 :: 3.583 HD1 :: 6.900 HD2 :: 6.900 HE1 :: 6.464 HE2 :: 6.464 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.672 Ave N Shift Values>> N :: 120.79(4.69) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.488 CA :: 62.211 CB :: 39.576 CD1 :: 131.302 CD2 :: 131.302 CE1 :: 128.330 CE2 :: 128.330 CZ :: 130.966 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.700 HA :: 3.932 HB2 :: 2.463 HB3 :: 3.505 HD1 :: 7.363 HD2 :: 7.363 HE1 :: 7.000 HE2 :: 7.000 HZ :: 6.674 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.778 Ave N Shift Values>> N :: 120.69(4.18) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 K 0.31 C Shift Assignments>> C :: 179.253 CA :: 58.628 CB :: 41.253 CD1 :: 26.225 CD2 :: 23.638 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.616 HA :: 4.417 HD11 :: 1.011 HD12 :: 1.011 HD13 :: 1.011 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.827 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 176.197 CA :: 47.339 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.492 HA2 :: 3.763 HA3 :: 3.763 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.327 Ave N Shift Values>> N :: 109.91(4.29) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 181.242 CA :: 57.439 CB :: 41.638 CG :: 25.583 CD1 :: 22.309 CD2 :: 24.492 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.034 HA :: 4.257 HB2 :: 1.400 HB3 :: 1.899 HG :: 1.263 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.209 HD22 :: 0.209 HD23 :: 0.209 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.092 Ave N Shift Values>> N :: 121.98(4.07) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.34 G 0.06 K 0.01 C Shift Assignments>> C :: 178.393 CA :: 57.384 CB :: 42.687 CG :: 26.224 CD1 :: 23.789 CD2 :: 27.119 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.841 HA :: 4.152 HB2 :: 1.680 HB3 :: 2.466 HG :: 2.110 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 1.102 HD22 :: 1.102 HD23 :: 1.102 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.081 Ave N Shift Values>> N :: 121.98(4.07) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 177.047 CA :: 52.935 CB :: 18.867 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.244 HA :: 3.645 HB1 :: 1.217 HB2 :: 1.217 HB3 :: 1.217 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.140 Ave N Shift Values>> N :: 123.23(3.7) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 175.342 CA :: 45.807 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.750 HA2 :: 3.912 HA3 :: 3.912 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.884 Ave N Shift Values>> N :: 109.91(4.29) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.08 R 0.02 G 0.01 C Shift Assignments>> C :: 176.715 CA :: 55.147 CB :: 41.829 CG :: 26.252 CD1 :: 24.719 CD2 :: 22.504 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.437 HA :: 4.170 HB2 :: 0.789 HB3 :: 1.383 HG :: 1.813 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.609 Ave N Shift Values>> N :: 121.98(4.07) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.11 N 0.1 R 0.08 F 0.04 Y 0.03 G 0.01 HN Overlap>> 1.E225 1.E225 C Shift Assignments>> C :: 177.348 CA :: 52.732 CB :: 42.032 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.468 HA :: 4.934 HB2 :: 2.954 HB3 :: 3.201 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.181 Ave N Shift Values>> N :: 120.73(4.2) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 T 0.23 P 0.21 I 0.19 F 0.02 Y 0.02 W 0.01 S 0.01 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 176.667 CA :: 62.763 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.698 HA :: 4.409 HB2 :: 4.136 HB3 :: 4.136 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.642 Ave N Shift Values>> N :: 116.3(3.95) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.15 I 0.12 K 0.12 R 0.11 Q 0.11 H 0.11 V 0.03 M 0.02 HN Overlap>> 1.D233 1.D233 C Shift Assignments>> C :: 178.955 CA :: 59.211 CB :: 29.399 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.415 HA :: 4.251 HB2 :: 1.733 HB3 :: 1.871 HD2 :: 3.421 HD3 :: 3.421 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.184 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.15 R 0.12 I 0.11 K 0.11 H 0.11 Q 0.11 V 0.03 M 0.03 C Shift Assignments>> C :: 179.252 CA :: 59.248 CB :: 29.543 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.351 HA :: 4.242 HG2 :: 2.524 HG3 :: 2.691 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.412 Ave N Shift Values>> N :: 120.68(3.68) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.466 CA :: 61.635 CB :: 39.155 CD1 :: 131.081 CD2 :: 131.081 CE1 :: 131.400 CE2 :: 131.400 CZ :: 129.615 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.643 HA :: 4.412 HB2 :: 3.187 HB3 :: 3.369 HD1 :: 7.316 HD2 :: 7.316 HE1 :: 7.536 HE2 :: 7.536 HZ :: 7.267 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.465 Ave N Shift Values>> N :: 120.69(4.18) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 P 0.09 A 0.05 L 0.03 N 0.02 C Shift Assignments>> C :: 176.479 CA :: 47.662 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.331 HA2 :: 3.791 HA3 :: 4.106 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.212 Ave N Shift Values>> N :: 109.91(4.29) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.586 CA :: 65.919 CB :: 37.908 CG1 :: 29.077 CG2 :: 16.512 CD1 :: 13.303 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.885 HA :: 3.759 HB :: 1.993 HG12 :: 1.143 HG13 :: 1.974 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 HD11 :: 1.079 HD12 :: 1.079 HD13 :: 1.079 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.559 Ave N Shift Values>> N :: 121.6(4.72) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A172 1.A172 C Shift Assignments>> C :: 178.066 CA :: 66.126 CB :: 31.370 CG1 :: 21.991 CG2 :: 21.619 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.794 HA :: 3.798 HB :: 2.057 HG11 :: 1.059 HG12 :: 1.059 HG13 :: 1.059 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.624 Ave N Shift Values>> N :: 121.02(4.96) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I121 1.E65 1.I121 1.E65 C Shift Assignments>> C :: 179.802 CA :: 63.810 CB :: 36.182 CG1 :: 29.485 CG2 :: 17.614 CD1 :: 12.077 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.650 HA :: 4.004 HB :: 2.165 HG12 :: 1.615 HG13 :: 1.776 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 HD11 :: 1.033 HD12 :: 1.033 HD13 :: 1.033 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 121.6(4.72) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.187 CA :: 69.031 CB :: 66.817 CG2 :: 21.344 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.117 HA :: 3.910 HB :: 4.496 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.751 Ave N Shift Values>> N :: 115.7(5.05) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 K 0.06 G 0.03 C Shift Assignments>> C :: 178.246 CA :: 58.740 CB :: 42.164 CD1 :: 25.390 CD2 :: 22.676 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.387 HA :: 4.004 HB2 :: 1.648 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 HD21 :: 1.055 HD22 :: 1.055 HD23 :: 1.055 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.068 Ave N Shift Values>> N :: 121.98(4.07) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 K 0.21 Y 0.2 L 0.11 I 0.07 R 0.07 D 0.04 HN Overlap>> 1.W76 1.W76 C Shift Assignments>> C :: 176.677 CA :: 58.656 CB :: 41.352 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.220 HA :: 4.278 HB2 :: 2.747 HB3 :: 2.955 HD21 :: 5.918 HD22 :: 7.605 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.582 ND2 :: 106.218 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.272 CA :: 66.814 CB :: 68.011 CG2 :: 20.883 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.259 HA :: 4.276 HB :: 4.500 HG21 :: 1.320 HG22 :: 1.320 HG23 :: 1.320 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.896 Ave N Shift Values>> N :: 115.7(5.05) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A195 1.A195 C Shift Assignments>> C :: 176.856 CA :: 67.920 CB :: 30.428 CG1 :: 21.693 CG2 :: 23.124 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.344 HA :: 3.534 HB :: 2.395 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 121.02(4.96) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.530 CA :: 67.708 CB :: 31.351 CG1 :: 22.436 CG2 :: 22.273 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.763 HA :: 3.450 HB :: 2.697 HG11 :: 0.741 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 1.495 HG22 :: 1.495 HG23 :: 1.495 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.360 Ave N Shift Values>> N :: 121.02(4.96) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.05 V 0.04 HN Overlap>> 1.V169 1.V169 C Shift Assignments>> C :: 180.663 CA :: 56.124 CB :: 31.435 CE :: 18.437 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.570 HA :: 4.570 HE1 :: 1.461 HE2 :: 1.461 HE3 :: 1.461 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 111.965 Ave N Shift Values>> N :: 120.1(3.88) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 G 0.02 C Shift Assignments>> C :: 178.920 CA :: 57.792 CB :: 42.229 CG :: 26.790 CD1 :: 25.258 CD2 :: 23.442 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.994 HA :: 4.302 HB2 :: 1.561 HB3 :: 1.977 HG :: 2.028 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.989 HD22 :: 0.989 HD23 :: 0.989 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.126 Ave N Shift Values>> N :: 121.98(4.07) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.2 I 0.08 HN Overlap>> 1.R66 1.K157 1.R66 1.K157 1.A23 1.A23 C Shift Assignments>> C :: 180.517 CA :: 55.852 CB :: 17.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.685 HA :: 3.990 HB1 :: 1.583 HB2 :: 1.583 HB3 :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.604 Ave N Shift Values>> N :: 123.23(3.7) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 175.014 CA :: 47.595 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.269 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.044 Ave N Shift Values>> N :: 109.91(4.29) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 HN Overlap>> 1.L219 1.L219 C Shift Assignments>> C :: 176.463 CA :: 56.997 CB :: 38.410 CD1 :: 130.860 CD2 :: 130.860 CE1 :: 129.608 CE2 :: 129.608 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.141 HA :: 3.777 HB2 :: 3.346 HB3 :: 3.346 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 7.172 HE2 :: 7.172 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.275 Ave N Shift Values>> N :: 120.69(4.18) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.03 C Shift Assignments>> C :: 179.616 CA :: 55.084 CB :: 18.186 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.885 HA :: 3.613 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.465 Ave N Shift Values>> N :: 123.23(3.7) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 P 0.26 A 0.11 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 174.387 CA :: 48.025 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.691 HA2 :: 3.981 HA3 :: 3.981 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.652 Ave N Shift Values>> N :: 109.91(4.29) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.43 I 0.02 C Shift Assignments>> C :: 178.652 CA :: 54.551 CB :: 17.624 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.957 HA :: 4.120 HB1 :: 1.611 HB2 :: 1.611 HB3 :: 1.611 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.482 Ave N Shift Values>> N :: 123.23(3.7) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.25 I 0.01 C Shift Assignments>> C :: 175.347 CA :: 54.081 CB :: 31.230 CE :: 15.863 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.307 HA :: 4.660 HE1 :: 1.927 HE2 :: 1.927 HE3 :: 1.927 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 112.087 Ave N Shift Values>> N :: 120.1(3.88) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R27 1.R27 C Shift Assignments>> C :: 175.718 CA :: 59.478 CB :: 33.424 CG1 :: 22.378 CG2 :: 22.005 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.371 HA :: 4.552 HB :: 2.281 HG11 :: 1.129 HG12 :: 1.129 HG13 :: 1.129 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.966 Ave N Shift Values>> N :: 121.02(4.96) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.46 V 0.45 I 0.05 W 0.01 C Shift Assignments>> C :: 178.876 CA :: 64.402 CB :: 32.013 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.710 CA :: 44.576 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.972 HA2 :: 4.284 HA3 :: 4.551 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.810 Ave N Shift Values>> N :: 109.91(4.29) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I102 1.I102 1.E65 1.E65 C Shift Assignments>> C :: 176.838 CA :: 63.626 CB :: 38.802 CG1 :: 28.087 CG2 :: 18.258 CD1 :: 14.399 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.685 HA :: 4.288 HB :: 2.317 HG12 :: 1.704 HG13 :: 1.848 HG21 :: 1.291 HG22 :: 1.291 HG23 :: 1.291 HD11 :: 1.213 HD12 :: 1.213 HD13 :: 1.213 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.533 Ave N Shift Values>> N :: 121.6(4.72) 1.E122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.28 R 0.17 W 0.12 K 0.09 Q 0.08 E 0.07 H 0.06 L 0.05 P 0.03 C Shift Assignments>> C :: 178.535 CA :: 59.784 CB :: 27.439 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.463(S) HA :: 4.239 HB2 :: 2.163 HB3 :: 2.163 HG2 :: 2.460 HG3 :: 2.586 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.853 Ave N Shift Values>> N :: 120.68(3.68) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.15 W 0.15 I 0.12 E 0.12 H 0.11 R 0.06 L 0.06 M 0.01 HN Overlap>> 1.I43 1.Y140 1.I43 1.Y140 C Shift Assignments>> C :: 178.169 CA :: 58.417 CB :: 28.039 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.256 HA :: 4.326 HD2 :: 3.325 HD3 :: 3.325 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.712 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.496 CA :: 61.876 CB :: 37.438 CD1 :: 131.981 CD2 :: 131.981 CE1 :: 117.763 CE2 :: 117.763 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.222 HA :: 4.175 HB2 :: 3.169 HB3 :: 3.274 HD1 :: 7.406 HD2 :: 7.406 HE1 :: 6.882 HE2 :: 6.882 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.427 Ave N Shift Values>> N :: 120.79(4.69) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> C :: 179.097 CA :: 54.872 CB :: 17.990 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.990 HA :: 4.321 HB1 :: 1.707 HB2 :: 1.707 HB3 :: 1.707 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.565 Ave N Shift Values>> N :: 123.23(3.7) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 C Shift Assignments>> C :: 178.440 CA :: 57.982 CB :: 39.665 CG :: 27.385 CD1 :: 25.358 CD2 :: 23.337 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.225 HA :: 4.159 HB2 :: 2.189 HG :: 2.168 HD11 :: 0.993 HD12 :: 0.993 HD13 :: 0.993 HD21 :: 0.996 HD22 :: 0.996 HD23 :: 0.996 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.704 Ave N Shift Values>> N :: 121.98(4.07) 1.F127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 176.884 CA :: 61.820 CB :: 38.536 CD1 :: 131.975 CD2 :: 131.975 CE1 :: 129.945 CE2 :: 129.945 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.064 HA :: 3.537 HB2 :: 2.570 HB3 :: 3.181 HD1 :: 6.467 HD2 :: 6.467 HE1 :: 7.198 HE2 :: 7.198 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.131 Ave N Shift Values>> N :: 120.69(4.18) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 174.251 CA :: 46.981 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.568 HA2 :: 3.551 HA3 :: 3.715 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.867 Ave N Shift Values>> N :: 109.91(4.29) 1.M129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 I 0.21 V 0.09 A 0.01 HN Overlap>> 1.A186 1.A186 C Shift Assignments>> C :: 177.839 CA :: 59.120 CB :: 32.205 CE :: 17.268 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.048 HA :: 4.095 HG2 :: 2.514 HG3 :: 2.648 HE1 :: 2.072 HE2 :: 2.072 HE3 :: 2.072 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.607 Ave N Shift Values>> N :: 120.1(3.88) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 P 0.04 L 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 174.953 CA :: 47.475 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.081 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.147 Ave N Shift Values>> N :: 109.91(4.29) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.26 I 0.05 C Shift Assignments>> C :: 178.941 CA :: 55.234 CB :: 17.027 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.727 HA :: 4.013 HB1 :: 1.207 HB2 :: 1.207 HB3 :: 1.207 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.407 Ave N Shift Values>> N :: 123.23(3.7) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.647 CA :: 66.967 CB :: 31.151 CG1 :: 21.517 CG2 :: 23.049 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.081 HA :: 3.715 HB :: 2.303 HG11 :: 1.010 HG12 :: 1.010 HG13 :: 1.010 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.164 Ave N Shift Values>> N :: 121.02(4.96) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.28 I 0.05 HN Overlap>> 1.A215 1.A215 C Shift Assignments>> C :: 178.637 CA :: 55.358 CB :: 17.416 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.958 HA :: 4.066 HB1 :: 1.658 HB2 :: 1.658 HB3 :: 1.658 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.360 Ave N Shift Values>> N :: 123.23(3.7) 1.F134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 HN Overlap>> 1.L202 1.L202 C Shift Assignments>> C :: 176.613 CA :: 60.590 CB :: 39.232 CE1 :: 130.692 CE2 :: 130.692 CZ :: 129.125 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.540 HA :: 4.382 HB2 :: 3.481 HB3 :: 3.481 HD1 :: 7.322 HD2 :: 7.322 HE1 :: 7.485 HE2 :: 7.485 HZ :: 7.390 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.479 Ave N Shift Values>> N :: 120.69(4.18) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 178.166 CA :: 65.074 CB :: 36.313 CG1 :: 28.886 CG2 :: 17.632 CD1 :: 12.154 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.195 HA :: 3.602 HB :: 2.344 HG12 :: 1.479 HG13 :: 2.084 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 HD11 :: 1.009 HD12 :: 1.009 HD13 :: 1.009 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.427 Ave N Shift Values>> N :: 121.6(4.72) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 P 0.2 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.145 CA :: 47.915 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.983 HA2 :: 3.687 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.014 Ave N Shift Values>> N :: 109.91(4.29) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.18 G 0.04 K 0.01 HN Overlap>> 1.A55 1.A55 C Shift Assignments>> C :: 178.226 CA :: 58.704 CB :: 42.329 CG :: 26.405 CD1 :: 24.387 CD2 :: 26.462 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.509 HA :: 4.255 HB2 :: 1.564 HB3 :: 2.407 HG :: 1.631 HD11 :: 1.206 HD12 :: 1.206 HD13 :: 1.206 HD21 :: 1.265 HD22 :: 1.265 HD23 :: 1.265 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.866 Ave N Shift Values>> N :: 121.98(4.07) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V17 1.V17 C Shift Assignments>> C :: 177.869 CA :: 67.352 CB :: 31.103 CG1 :: 23.171 CG2 :: 22.131 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.732 HA :: 3.392 HB :: 2.080 HG11 :: 0.475 HG12 :: 0.475 HG13 :: 0.475 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.315 Ave N Shift Values>> N :: 121.02(4.96) 1.Y139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.362 CA :: 61.798 CB :: 37.071 CD1 :: 132.919 CD2 :: 132.919 CE1 :: 117.371 CE2 :: 117.371 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.586 HA :: 4.109 HB2 :: 3.121 HB3 :: 3.613 HD1 :: 6.979 HD2 :: 6.979 HE1 :: 6.685 HE2 :: 6.685 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.745 Ave N Shift Values>> N :: 120.79(4.69) 1.Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.R123 1.R123 C Shift Assignments>> C :: 178.439 CA :: 64.243 CB :: 38.856 CD1 :: 131.986 CD2 :: 131.986 CE1 :: 117.964 CE2 :: 117.964 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.321 HA :: 3.644 HB2 :: 2.967 HB3 :: 3.333 HD1 :: 7.166 HD2 :: 7.166 HE1 :: 6.885 HE2 :: 6.885 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.781 Ave N Shift Values>> N :: 120.79(4.69) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.21 G 0.06 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 181.562 CA :: 58.112 CB :: 42.907 CG :: 27.408 CD1 :: 25.295 CD2 :: 24.174 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.459 HA :: 4.544 HB2 :: 1.213 HB3 :: 2.102 HG :: 2.076 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 HD21 :: 1.025 HD22 :: 1.025 HD23 :: 1.025 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.425 Ave N Shift Values>> N :: 121.98(4.07) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.358 CA :: 63.638 CB :: 31.922 CG1 :: 21.463 CG2 :: 21.016 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.654 HA :: 4.276 HB :: 2.380 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.953 Ave N Shift Values>> N :: 121.02(4.96) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 K 0.06 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 177.498 CA :: 43.275 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.291 HA2 :: 3.370 HA3 :: 3.595 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.755 Ave N Shift Values>> N :: 109.91(4.29) 1.P144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.54 P 0.39 I 0.05 C Shift Assignments>> C :: 179.018 CA :: 65.368 CB :: 32.119 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.M145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 I 0.34 V 0.03 C Shift Assignments>> C :: 178.649 CA :: 60.555 CB :: 32.322 CE :: 15.758 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.802 HA :: 3.908 HG2 :: 2.518 HG3 :: 2.518 HE1 :: 2.142 HE2 :: 2.142 HE3 :: 2.142 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 113.737 Ave N Shift Values>> N :: 120.1(3.88) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.710 CA :: 67.122 CB :: 69.042 CG2 :: 20.789 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.111 HA :: 4.077 HB :: 4.454 HG21 :: 1.355 HG22 :: 1.355 HG23 :: 1.355 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.371 Ave N Shift Values>> N :: 115.7(5.05) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 W 0.16 K 0.13 R 0.12 E 0.12 Q 0.11 H 0.09 L 0.02 V 0.01 M 0.01 C Shift Assignments>> C :: 180.027 CA :: 59.469 CB :: 28.457 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.223 HA :: 4.264 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.338 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.672 Ave N Shift Values>> N :: 120.68(3.68) 1.S148 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.W76 1.W76 C Shift Assignments>> C :: 178.067 CA :: 62.269 CB :: 78.834(A) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.082 HA :: 4.262 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.633 Ave N Shift Values>> N :: 116.3(3.95) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.03 C Shift Assignments>> C :: 179.170 CA :: 55.001 CB :: 18.117 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.975 HA :: 3.996 HB1 :: 1.094 HB2 :: 1.094 HB3 :: 1.094 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.692 Ave N Shift Values>> N :: 123.23(3.7) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.760 CA :: 60.973 CB :: 62.726 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.907 HA :: 4.262 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.484 Ave N Shift Values>> N :: 116.3(3.95) 1.Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.17 H 0.15 R 0.14 W 0.1 L 0.09 E 0.09 M 0.02 I 0.01 C Shift Assignments>> C :: 176.779 CA :: 55.381 CB :: 28.354 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.564 HA :: 4.559 HG2 :: 2.562 HG3 :: 2.624 HE21 :: 6.865 HE22 :: 7.422 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.507 NE2 :: 111.407 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.15 R 0.15 W 0.13 E 0.12 K 0.11 M 0.08 HN Overlap>> 1.Y174 1.L166 1.Y174 1.L166 C Shift Assignments>> C :: 175.301 CA :: 55.018 CB :: 30.027 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.568 HA :: 4.636 HD2 :: 3.228 HD3 :: 3.345 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.060 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.281 CA :: 58.313 CB :: 63.843 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.006 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.484 Ave N Shift Values>> N :: 116.3(3.95) 1.S154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.950 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.430 Ave N Shift Values>> N :: 116.3(3.95) 1.G155 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 :: 176.343 CA :: 46.897 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.059 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.777 Ave N Shift Values>> N :: 109.91(4.29) 1.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.620 CA :: 63.723 CB :: 36.324 CG1 :: 28.981 CG2 :: 18.259 CD1 :: 11.764 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.588 HA :: 3.871 HB :: 2.168 HG12 :: 1.266 HG13 :: 1.721 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.951 Ave N Shift Values>> N :: 121.6(4.72) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 V 0.17 R 0.11 E 0.11 I 0.11 H 0.07 P 0.06 K 0.05 Q 0.04 M 0.04 HN Overlap>> 1.R66 1.R66 1.A111 1.A23 1.A111 1.A23 C Shift Assignments>> C :: 178.474 CA :: 60.406 CB :: 30.956 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.618 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.543 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.076 CA :: 61.603 CB :: 62.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.312 HA :: 4.281 HB2 :: 4.112 HB3 :: 4.146 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.567 Ave N Shift Values>> N :: 116.3(3.95) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 K 0.24 C Shift Assignments>> C :: 177.709 CA :: 57.913 CB :: 40.869 CG :: 26.234 CD1 :: 23.368 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.720 HA :: 4.259 HB2 :: 1.688 HB3 :: 2.103 HG :: 1.665 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.468 Ave N Shift Values>> N :: 121.98(4.07) 1.Y160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 Y 0.1 F 0.09 V 0.03 E 0.01 C Shift Assignments>> C :: 176.607 CA :: 63.215 CB :: 37.528 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.083 HA :: 3.875 HB2 :: 3.031 HB3 :: 3.270 HD1 :: 7.051 HD2 :: 7.051 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.815 Ave N Shift Values>> N :: 120.79(4.69) 1.V161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L200 1.L200 C Shift Assignments>> C :: 177.486 CA :: 67.817 CB :: 31.493 CG1 :: 21.501 CG2 :: 23.422 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.631 HA :: 3.221 HB :: 2.289 HG11 :: 1.077 HG12 :: 1.077 HG13 :: 1.077 HG21 :: 1.297 HG22 :: 1.297 HG23 :: 1.297 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.215 Ave N Shift Values>> N :: 121.02(4.96) 1.R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.14 R 0.13 I 0.11 V 0.11 H 0.09 Q 0.07 K 0.05 M 0.04 P 0.02 HN Overlap>> 1.Y36 1.Y36 C Shift Assignments>> C :: 179.292 CA :: 59.921 CB :: 30.543 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.735 HA :: 4.144 HB2 :: 1.998 HB3 :: 2.067 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.221 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.1 A 0.08 C Shift Assignments>> C :: 180.386 CA :: 56.998 CB :: 41.238 CG :: 26.619 CD1 :: 21.817 CD2 :: 25.815 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.192 HA :: 4.120 HB2 :: 1.317 HB3 :: 1.680 HG :: 1.687 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 HD21 :: 0.522 HD22 :: 0.522 HD23 :: 0.522 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.923 Ave N Shift Values>> N :: 121.98(4.07) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.15 K 0.12 Q 0.11 I 0.11 R 0.11 H 0.11 M 0.02 V 0.02 C Shift Assignments>> C :: 177.319 CA :: 59.116 CB :: 29.323 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.575 HD2 :: 3.218 HD3 :: 3.572 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.908 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 Y 0.18 N 0.12 M 0.11 F 0.08 K 0.05 I 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 176.388 CA :: 55.765 CB :: 36.646 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.689 HA :: 4.401 HB2 :: 2.737 HB3 :: 3.213 HD21 :: 7.189 HD22 :: 7.624 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.654 ND2 :: 108.776 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 K 0.3 R 0.09 G 0.05 HN Overlap>> 1.Y174 1.Y174 1.R152 1.R152 C Shift Assignments>> C :: 177.032 CA :: 58.947 CB :: 42.478 CD1 :: 25.762 CD2 :: 26.106 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.548 HA :: 4.047 HG :: 1.886 HD11 :: 1.046 HD12 :: 1.046 HD13 :: 1.046 HD21 :: 1.199 HD22 :: 1.199 HD23 :: 1.199 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.021 Ave N Shift Values>> N :: 121.98(4.07) 1.T167 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.624 CA :: 66.913 CB :: 68.667 CG2 :: 16.894 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.859 HA :: 3.796 HB :: 4.126 HG21 :: -0.153(S) HG22 :: -0.153(S) HG23 :: -0.153(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.532 Ave N Shift Values>> N :: 115.7(5.05) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.300 CA :: 67.998 CB :: 31.490 CG1 :: 22.261 CG2 :: 23.500 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.814 HA :: 3.440 HB :: 2.126 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.266 Ave N Shift Values>> N :: 121.02(4.96) 1.V169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.M109 1.M109 C Shift Assignments>> C :: 175.900 CA :: 66.701 CB :: 31.344 CG1 :: 21.535 CG2 :: 23.478 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.498 HA :: 3.801 HB :: 2.235 HG11 :: 1.080 HG12 :: 1.080 HG13 :: 1.080 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.904 Ave N Shift Values>> N :: 121.02(4.96) 1.L170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.24 K 0.06 A 0.04 HN Overlap>> 1.I173 1.I173 C Shift Assignments>> C :: 181.420 CA :: 56.806 CB :: 40.561 CG :: 28.197 CD1 :: 22.803 CD2 :: 26.770 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.923 HA :: 4.523 HB2 :: 2.481 HG :: 2.232 HD11 :: 1.069 HD12 :: 1.069 HD13 :: 1.069 HD21 :: 1.165 HD22 :: 1.165 HD23 :: 1.165 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.138 Ave N Shift Values>> N :: 121.98(4.07) 1.W171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.9 H 0.09 C Shift Assignments>> C :: 178.214 CA :: 61.057 CB :: 27.521 CD1 :: 125.172 CE3 :: 119.540 CH2 :: 125.084 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.872 HD1 :: 7.521 HE1 :: 10.205 HE3 :: 7.485 HZ2 :: 7.324 HH2 :: 7.490 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.564 NE1 :: 127.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.45 I 0.01 HN Overlap>> 1.T39 1.V101 1.T39 1.V101 C Shift Assignments>> C :: 176.810 CA :: 54.267 CB :: 18.142 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.744 HA :: 4.208 HB1 :: 1.951 HB2 :: 1.951 HB3 :: 1.951 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.525 Ave N Shift Values>> N :: 123.23(3.7) 1.I173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L170 1.L170 C Shift Assignments>> C :: 179.572 CA :: 63.684 CB :: 36.907 CG1 :: 28.501 CG2 :: 18.197 CD1 :: 12.518 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.853 HA :: 4.159 HB :: 2.287 HG12 :: 1.376 HG13 :: 2.286 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 1.000 HD12 :: 1.000 HD13 :: 1.000 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.198 Ave N Shift Values>> N :: 121.6(4.72) 1.Y174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.91 Y 0.05 W 0.01 H 0.01 HN Overlap>> 1.L166 1.R152 1.L166 1.R152 C Shift Assignments>> C :: 177.332 CA :: 64.899 CD1 :: 129.797 CD2 :: 129.797 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.550 HA :: 4.001 HD1 :: 7.112 HD2 :: 7.112 HH :: 9.978 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.115 Ave N Shift Values>> N :: 120.79(4.69) 1.P175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.52 V 0.23 P 0.21 W 0.02 C Shift Assignments>> C :: 178.120 CA :: 65.337 CB :: 29.323 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.F176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.366 CA :: 62.491 CB :: 38.658 CD1 :: 131.456 CD2 :: 131.456 CE1 :: 130.952 CE2 :: 130.952 CZ :: 128.758 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.552 HA :: 4.402 HB2 :: 3.122 HB3 :: 3.507 HD1 :: 7.627 HD2 :: 7.627 HE1 :: 7.440 HE2 :: 7.440 HZ :: 7.279 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.155 Ave N Shift Values>> N :: 120.69(4.18) 1.I177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.760 CA :: 63.893 CB :: 36.675 CG1 :: 28.479 CG2 :: 18.143 CD1 :: 12.684 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.892 HA :: 3.830 HB :: 2.224 HG12 :: 1.378 HG13 :: 1.610 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.247 Ave N Shift Values>> N :: 121.6(4.72) 1.W178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 176.759 CA :: 62.225 CB :: 31.335 CD1 :: 127.591 CE3 :: 122.815 CZ2 :: 112.349 CZ3 :: 120.358 CH2 :: 123.889 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.198 HB2 :: 3.519 HB3 :: 3.519 HD1 :: 7.639 HE1 :: 9.558 HE3 :: 6.873 HZ2 :: 7.256 HZ3 :: 6.499 HH2 :: 6.608 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.416 NE1 :: 124.891 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 G 0.09 R 0.05 C Shift Assignments>> C :: 178.257 CA :: 57.969 CB :: 43.020 CG :: 26.480 CD1 :: 24.289 CD2 :: 23.744 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.144 HA :: 4.198 HB2 :: 1.791 HB3 :: 1.955 HG :: 1.820 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.947 Ave N Shift Values>> N :: 121.98(4.07) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.12 A 0.03 G 0.01 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> C :: 177.779 CA :: 55.617 CB :: 41.882 CG :: 27.190 CD1 :: 25.410 CD2 :: 23.012 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.400 HA :: 4.617 HB2 :: 1.827 HB3 :: 2.101 HG :: 2.183 HD11 :: 1.020 HD12 :: 1.020 HD13 :: 1.020 HD21 :: 1.029 HD22 :: 1.029 HD23 :: 1.029 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.811 Ave N Shift Values>> N :: 121.98(4.07) 1.G181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.23 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 177.752 CA :: 43.907 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.071 HA2 :: 4.215 HA3 :: 4.215 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.770 Ave N Shift Values>> N :: 109.91(4.29) 1.P182 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.67 V 0.14 P 0.13 W 0.03 C Shift Assignments>> C :: 174.454 CA :: 64.961 CB :: 28.771 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.G184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 R 0.28 L 0.28 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 175.964 CA :: 44.115 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.181 HA2 :: 4.121 HA3 :: 4.292 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.122 Ave N Shift Values>> N :: 109.91(4.29) 1.V185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.961 CA :: 61.980 CB :: 31.764 CG1 :: 21.926 CG2 :: 20.263 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.129 HA :: 4.300 HB :: 2.564 HG11 :: 1.242 HG12 :: 1.242 HG13 :: 1.242 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.708 Ave N Shift Values>> N :: 121.02(4.96) 1.A186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.43 I 0.01 HN Overlap>> 1.M129 1.M129 C Shift Assignments>> C :: 176.494 CA :: 53.428 CB :: 16.359 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.036 HA :: 3.455 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.594 Ave N Shift Values>> N :: 123.23(3.7) 1.L187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.16 G 0.1 C Shift Assignments>> C :: 178.294 CA :: 56.793 CB :: 43.254 CG :: 27.221 CD1 :: 24.587 CD2 :: 25.066 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.031 HA :: 4.470 HB2 :: 1.797 HB3 :: 1.821 HG :: 1.807 HD11 :: 1.081 HD12 :: 1.081 HD13 :: 1.081 HD21 :: 1.096 HD22 :: 1.096 HD23 :: 1.096 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.285 Ave N Shift Values>> N :: 121.98(4.07) 1.L188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 A 0.35 C Shift Assignments>> C :: 177.408 CA :: 53.055 CG :: 26.002 CD1 :: 22.363 CD2 :: 25.906 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.029 HA :: 4.791 HG :: 2.085 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 1.015 HD22 :: 1.015 HD23 :: 1.015 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.861 Ave N Shift Values>> N :: 121.98(4.07) 1.T189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 173.704 CA :: 59.995 CB :: 68.073 CG2 :: 22.676 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.809 HA :: 4.704 HB :: 4.914 HG21 :: 1.618 HG22 :: 1.618 HG23 :: 1.618 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.462 Ave N Shift Values>> N :: 115.7(5.05) 1.P190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.52 P 0.34 I 0.1 C Shift Assignments>> C :: 177.746 CA :: 65.874 CB :: 31.339 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.T191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.270 CA :: 66.517 CB :: 68.426 CG2 :: 22.382 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.794 HA :: 3.784 HB :: 4.085 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.285 Ave N Shift Values>> N :: 115.7(5.05) 1.V192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.766 CA :: 67.143 CB :: 30.966 CG1 :: 22.712 CG2 :: 24.026 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.259 HA :: 3.605 HB :: 2.256 HG11 :: 1.143 HG12 :: 1.143 HG13 :: 1.143 HG21 :: 1.154 HG22 :: 1.154 HG23 :: 1.154 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.779 Ave N Shift Values>> N :: 121.02(4.96) 1.D193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.18 K 0.17 F 0.13 Y 0.09 D 0.03 G 0.02 I 0.02 C Shift Assignments>> C :: 176.624 CA :: 58.246 CB :: 42.824 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.220 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.064 Ave N Shift Values>> N :: 120.73(4.2) 1.V194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.415 CA :: 67.100 CB :: 31.027 CG1 :: 22.059 CG2 :: 25.203 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.153 HA :: 3.326 HB :: 1.887 HG11 :: 0.430 HG12 :: 0.430 HG13 :: 0.430 HG21 :: 0.807 HG22 :: 0.807 HG23 :: 0.807 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.395 Ave N Shift Values>> N :: 121.02(4.96) 1.A195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 V 0.01 HN Overlap>> 1.R34 1.V107 1.R34 1.V107 C Shift Assignments>> C :: 178.446 CA :: 55.635 CB :: 18.634 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.354 HA :: 3.980 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.366 Ave N Shift Values>> N :: 123.23(3.7) 1.L196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.22 G 0.02 A 0.01 K 0.01 C Shift Assignments>> C :: 178.725 CA :: 57.801 CB :: 41.876 CG :: 26.739 CD1 :: 22.851 CD2 :: 26.555 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.520 HA :: 4.091 HB2 :: 1.389 HB3 :: 2.111 HG :: 2.080 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.852 Ave N Shift Values>> N :: 121.98(4.07) 1.I197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.T67 1.T67 C Shift Assignments>> C :: 177.569 CA :: 63.692 CB :: 36.103 CG1 :: 29.829 CD1 :: 11.943 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.062 HA :: 3.872 HB :: 2.337 HG12 :: 1.596 HG13 :: 1.782 HD11 :: 1.087 HD12 :: 1.087 HD13 :: 1.087 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.429 Ave N Shift Values>> N :: 121.6(4.72) 1.V198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.593 CA :: 66.978 CB :: 30.875 CG1 :: 21.409 CG2 :: 24.203 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.748 HA :: 4.178 HB :: 2.334 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.404 Ave N Shift Values>> N :: 121.02(4.96) 1.Y199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.231 CA :: 61.997 CB :: 38.492 CD1 :: 131.883 CD2 :: 131.883 CE1 :: 117.357 CE2 :: 117.357 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.522 HA :: 4.093 HB2 :: 3.071 HB3 :: 3.389 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.690 HE2 :: 6.690 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.725 Ave N Shift Values>> N :: 120.79(4.69) 1.L200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 G 0.01 HN Overlap>> 1.V161 1.V161 C Shift Assignments>> C :: 179.564 CA :: 58.537 CB :: 41.807 CG :: 26.523 CD1 :: 24.726 CD2 :: 23.214 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.561 HA :: 3.867 HB2 :: 1.501 HB3 :: 1.610 HG :: 1.851 HD11 :: 0.279 HD12 :: 0.279 HD13 :: 0.279 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.297 Ave N Shift Values>> N :: 121.98(4.07) 1.D201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 D 0.15 L 0.09 N 0.07 I 0.06 E 0.02 K 0.02 C Shift Assignments>> C :: 179.203 CA :: 56.662 CB :: 39.476 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.718 HA :: 4.193 HB2 :: 2.634 HB3 :: 3.220 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.354 Ave N Shift Values>> N :: 120.73(4.2) 1.L202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.24 K 0.01 G 0.01 HN Overlap>> 1.F134 1.F134 C Shift Assignments>> C :: 180.542 CA :: 58.706 CB :: 41.562 CG :: 27.395 CD1 :: 23.132 CD2 :: 26.019 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.495 HA :: 4.190 HB2 :: 2.169 HB3 :: 2.322 HG :: 2.156 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.505 Ave N Shift Values>> N :: 121.98(4.07) 1.V203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.571 CA :: 68.142 CB :: 31.046 CG1 :: 22.622 CG2 :: 23.771 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.397 HA :: 3.592 HB :: 2.291 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.092 Ave N Shift Values>> N :: 121.02(4.96) 1.T204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.281 CB :: 69.829 CG2 :: 24.785 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.403 HA :: 4.164 HB :: 4.658 HG21 :: 1.816 HG22 :: 1.816 HG23 :: 1.816 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.038 Ave N Shift Values>> N :: 115.7(5.05) 1.LYR205 Overall Status: Residue type LYR not supported. 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.675 CA :: 66.457 CB :: 30.997 CG1 :: 22.476 CG2 :: 24.204 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.841 HA :: 4.235 HB :: 2.630 HG11 :: 1.024 HG12 :: 1.024 HG13 :: 1.024 HG21 :: 1.417 HG22 :: 1.417 HG23 :: 1.417 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.182 Ave N Shift Values>> N :: 121.02(4.96) 1.G207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.56 A 0.15 G 0.14 N 0.07 D 0.02 C Shift Assignments>> C :: 175.036 CA :: 48.534 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.129 HA2 :: 3.565 HA3 :: 3.870 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.155 Ave N Shift Values>> N :: 109.91(4.29) 1.F208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 F 0.32 Y 0.25 K 0.05 L 0.02 C Shift Assignments>> C :: 176.213 CA :: 60.825 CB :: 40.541 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.499 HA :: 3.871 HB2 :: 3.014 HB3 :: 3.253 HD1 :: 6.988 HD2 :: 6.988 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.497 Ave N Shift Values>> N :: 120.69(4.18) 1.G209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 P 0.31 A 0.12 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 175.438 CA :: 48.096 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.068 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.150 Ave N Shift Values>> N :: 109.91(4.29) 1.F210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.593 CA :: 62.264 CB :: 38.357 CD1 :: 130.994 CD2 :: 130.994 CE1 :: 130.684 CE2 :: 130.684 CZ :: 128.677 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.169 HA :: 4.597 HB2 :: 3.414 HB3 :: 3.535 HD1 :: 7.553 HD2 :: 7.553 HE1 :: 7.236 HE2 :: 7.236 HZ :: 7.085 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.865 Ave N Shift Values>> N :: 120.69(4.18) 1.I211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E225 1.E225 C Shift Assignments>> C :: 178.876 CA :: 65.041 CB :: 36.783 CG1 :: 29.263 CG2 :: 17.153 CD1 :: 13.763 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.484 HA :: 3.837 HB :: 2.072 HG12 :: 1.250 HG13 :: 1.984 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.335 Ave N Shift Values>> N :: 121.6(4.72) 1.A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.3 I 0.05 C Shift Assignments>> C :: 178.763 CA :: 55.320 CB :: 17.555 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.829 HA :: 4.145 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.330 Ave N Shift Values>> N :: 123.23(3.7) 1.L213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.14 G 0.01 C Shift Assignments>> C :: 180.442 CA :: 58.050 CB :: 41.684 CG :: 27.389 CD1 :: 23.935 CD2 :: 25.244 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.629 HA :: 4.122 HB2 :: 1.849 HB3 :: 2.127 HG :: 2.162 HD11 :: 1.092 HD12 :: 1.092 HD13 :: 1.092 HD21 :: 1.099 HD22 :: 1.099 HD23 :: 1.099 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.380 Ave N Shift Values>> N :: 121.98(4.07) 1.D214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 F 0.15 R 0.14 Y 0.11 D 0.09 I 0.02 C Shift Assignments>> C :: 177.956 CA :: 57.170 CB :: 41.922 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.408 HA :: 4.576 HB2 :: 2.831 HB3 :: 2.831 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.949 Ave N Shift Values>> N :: 120.73(4.2) 1.A215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 L 0.01 HN Overlap>> 1.A133 1.A133 C Shift Assignments>> C :: 179.769 CA :: 53.704 CB :: 19.596 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.944 HA :: 4.434 HB1 :: 1.672 HB2 :: 1.672 HB3 :: 1.672 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.343 Ave N Shift Values>> N :: 123.23(3.7) 1.A216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.34 I 0.04 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> C :: 179.451 CA :: 55.347 CB :: 18.181 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.250 HA :: 4.073 HB1 :: 1.686 HB2 :: 1.686 HB3 :: 1.686 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.234 Ave N Shift Values>> N :: 123.23(3.7) 1.A217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 HN Overlap>> 1.D239 1.D239 C Shift Assignments>> C :: 180.668 CA :: 54.922 CB :: 18.161 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.252 HA :: 4.287 HB1 :: 1.720 HB2 :: 1.720 HB3 :: 1.720 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.709 Ave N Shift Values>> N :: 123.23(3.7) 1.T218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.359 CA :: 65.069 CB :: 68.888 CG2 :: 21.744 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.971 HA :: 4.261 HB :: 4.452 HG21 :: 1.384 HG22 :: 1.384 HG23 :: 1.384 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.246 Ave N Shift Values>> N :: 115.7(5.05) 1.L219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.07 A 0.01 HN Overlap>> 1.F113 1.F113 C Shift Assignments>> C :: 178.849 CA :: 57.067 CB :: 41.613 CG :: 26.744 CD1 :: 23.026 CD2 :: 25.060 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.040 HA :: 4.268 HB2 :: 1.645 HB3 :: 1.952 HG :: 1.853 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.273 Ave N Shift Values>> N :: 121.98(4.07) 1.R220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.16 R 0.14 H 0.14 Q 0.13 K 0.11 M 0.05 I 0.04 V 0.01 C Shift Assignments>> C :: 177.437 CA :: 57.799 CB :: 29.902 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.002 HA :: 4.288 HD2 :: 3.404 HD3 :: 3.404 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.680 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 178.680 CA :: 53.228 CB :: 18.907 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.857 HA :: 4.440 HB1 :: 1.642 HB2 :: 1.642 HB3 :: 1.642 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.629 Ave N Shift Values>> N :: 123.23(3.7) 1.E222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 W 0.15 H 0.15 R 0.14 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 177.028 CA :: 57.161 CB :: 29.866 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.117 HA :: 4.382 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.368 HG3 :: 2.474 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.915 Ave N Shift Values>> N :: 120.68(3.68) 1.H223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 W 0.46 C Shift Assignments>> C :: 175.608 CA :: 55.655 CB :: 29.368 CD2 :: 120.416 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.291 HA :: 4.901 HB2 :: 3.360 HB3 :: 3.530 HD2 :: 7.429 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.367 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.504 CA :: 45.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.369 HA2 :: 4.165 HA3 :: 4.165 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.798 Ave N Shift Values>> N :: 109.91(4.29) 1.E225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 E 0.15 W 0.15 Q 0.14 K 0.09 M 0.08 I 0.01 V 0.01 HN Overlap>> 1.I211 1.R34 1.D94 1.I211 1.R34 1.D94 C Shift Assignments>> C :: 176.778 CA :: 56.539 CB :: 30.281 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.445 HA :: 4.525 HB2 :: 2.123 HB3 :: 2.251 HG2 :: 2.452 HG3 :: 2.452 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.287 Ave N Shift Values>> N :: 120.68(3.68) 1.S226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.892 CA :: 58.163 CB :: 63.464 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.398 HB2 :: 4.057 HB3 :: 4.057 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.913 Ave N Shift Values>> N :: 116.3(3.95) 1.L227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.09 A 0.02 G 0.02 HN Overlap>> 1.A236 1.A236 C Shift Assignments>> C :: 177.169 CA :: 55.125 CB :: 42.127 CG :: 26.923 CD1 :: 23.454 CD2 :: 25.023 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.349 HA :: 4.493 HB2 :: 1.754 HB3 :: 1.769 HG :: 1.777 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 1.036 HD22 :: 1.036 HD23 :: 1.036 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.667 Ave N Shift Values>> N :: 121.98(4.07) 1.A228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 178.329 CA :: 52.491 CB :: 19.089 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.221 HA :: 4.492 HB1 :: 1.550 HB2 :: 1.550 HB3 :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.347 Ave N Shift Values>> N :: 123.23(3.7) 1.G229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 174.391 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.337 HA2 :: 4.125 HA3 :: 4.125 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.614 Ave N Shift Values>> N :: 109.91(4.29) 1.V230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V237 1.V237 C Shift Assignments>> C :: 176.088 CA :: 62.046 CB :: 32.583 CG1 :: 20.320 CG2 :: 21.321 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.945 HA :: 4.350 HB :: 2.275 HG11 :: 1.077 HG12 :: 1.077 HG13 :: 1.077 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.926 Ave N Shift Values>> N :: 121.02(4.96) 1.D231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 K 0.1 F 0.1 Y 0.09 R 0.02 C Shift Assignments>> C :: 176.596 CA :: 54.301 CB :: 40.835 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.499 HA :: 4.868 HB2 :: 2.813 HB3 :: 2.905 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.934 Ave N Shift Values>> N :: 120.73(4.2) 1.T232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.576 CA :: 61.771 CB :: 69.515 CG2 :: 21.366 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.123 HA :: 4.494 HB :: 4.442 HG21 :: 1.352 HG22 :: 1.352 HG23 :: 1.352 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.061 Ave N Shift Values>> N :: 115.7(5.05) 1.D233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.13 K 0.11 F 0.1 Y 0.09 R 0.02 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 176.231 CA :: 54.388 CB :: 40.882 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.443 HA :: 4.856 HB2 :: 2.847 HB3 :: 2.847 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.169 Ave N Shift Values>> N :: 120.73(4.2) 1.T234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.086 CA :: 59.748 CB :: 69.717 CG2 :: 21.449 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.123 HA :: 4.715 HB :: 4.284 HG21 :: 1.374 HG22 :: 1.374 HG23 :: 1.374 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.992 Ave N Shift Values>> N :: 115.7(5.05) 1.P235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.36 I 0.1 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 176.817 CA :: 63.064 CB :: 31.441 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.A236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 HN Overlap>> 1.L227 1.L227 C Shift Assignments>> C :: 178.089 CA :: 52.422 CB :: 18.899 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.362 HA :: 4.475 HB1 :: 1.538 HB2 :: 1.538 HB3 :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.683 Ave N Shift Values>> N :: 123.23(3.7) 1.V237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V230 1.V230 C Shift Assignments>> C :: 176.240 CA :: 62.272 CB :: 32.389 CG1 :: 20.479 CG2 :: 21.330 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.998 HA :: 4.223 HB :: 2.230 HG11 :: 1.081 HG12 :: 1.081 HG13 :: 1.081 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.995 Ave N Shift Values>> N :: 121.02(4.96) 1.A238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 177.557 CA :: 52.507 CB :: 19.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.300 HA :: 4.469 HB1 :: 1.530 HB2 :: 1.530 HB3 :: 1.530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.981 Ave N Shift Values>> N :: 123.23(3.7) 1.D239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.16 F 0.1 Y 0.09 K 0.09 R 0.01 HN Overlap>> 1.A217 1.A217 C Shift Assignments>> C :: 176.629 CA :: 54.140 CB :: 40.695 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.219 HB2 :: 2.824 HB3 :: 2.910 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.655 Ave N Shift Values>> N :: 120.73(4.2) 1.L240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 178.014 CA :: 55.766 CB :: 42.114 CG :: 26.976 CD1 :: 23.454 CD2 :: 25.013 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.167 HA :: 4.336 HB2 :: 1.747 HB3 :: 1.781 HG :: 1.781 HD11 :: 1.000 HD12 :: 1.000 HD13 :: 1.000 HD21 :: 1.052 HD22 :: 1.052 HD23 :: 1.052 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.603 Ave N Shift Values>> N :: 121.98(4.07) 1.E241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 E 0.15 K 0.14 W 0.14 R 0.13 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 176.745 CA :: 56.773 CB :: 29.436 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.284 HA :: 4.336 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.319 HG3 :: 2.319 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.823 Ave N Shift Values>> N :: 120.68(3.68) 1.H242 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H243 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H244 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H245 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H246 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H247 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 242 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 236 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 246 #Suspicious: 0 C Shift Results: #Consistent:1000 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1522 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 238 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A55 HB1 = 0.198(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.2674e-06 1.A55 HB2 = 0.198(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.2674e-06 1.A55 HB3 = 0.198(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.2674e-06 1.E122 H = 10.463(S), Expected = 8.34, Std = 0.6100, ChiSquare = 5.0080e-04 1.S148 Typing: Mistyped 1.S148 CB = 78.834(A), Expected = 63.80, Std = 1.5700, ChiSquare = 1.0108e-21 1.T167 HG21 = -0.153(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.7416e-06 1.T167 HG22 = -0.153(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.7416e-06 1.T167 HG23 = -0.153(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.7416e-06