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>> C 0.51 M 0.25 A 0.2 I 0.01 C Shift Assignments>> C :: 177.058 CA :: 55.676 CB :: 29.435 CG :: 33.672 CE :: 17.339 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.211 HB2 :: 1.857 HB3 :: 1.943 HG2 :: 2.198 HG3 :: 2.198 HE1 :: 2.049 HE2 :: 2.049 HE3 :: 2.049 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.658 CA :: 58.790 CB :: 63.986 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.189 HA :: 4.350 HB2 :: 3.786 HB3 :: 3.786 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.659 Ave N Shift Values>> N :: 116.28(3.52) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.16 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 176.325 CA :: 56.103 CB :: 30.710 CG :: 36.181 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.529 HA :: 4.356 HB2 :: 2.038 HB3 :: 1.851 HG2 :: 2.227 HG3 :: 2.253 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.816 Ave N Shift Values>> N :: 120.67(3.48) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.24 R 0.17 G 0.07 A 0.03 C Shift Assignments>> C :: 177.860 CA :: 54.370 CB :: 43.164 CG :: 27.000 CD1 :: 23.452 CD2 :: 26.503 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.303 HA :: 4.557 HB2 :: 1.651 HB3 :: 1.264 HG :: 1.696 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.987 Ave N Shift Values>> N :: 121.86(3.9) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.397 CA :: 60.251 CB :: 71.253 CG2 :: 21.682 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.759 HA :: 4.415 HB :: 4.738 HG21 :: 1.285 HG22 :: 1.285 HG23 :: 1.285 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.550 Ave N Shift Values>> N :: 115.42(4.75) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 I 0.25 K 0.04 Q 0.01 HN Overlap>> 1.F12 1.F12 C Shift Assignments>> C :: 179.473 CA :: 59.900 CB :: 29.304 CG :: 36.668 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.983 HA :: 3.893 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.280 HG3 :: 2.371 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.259 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.37 E 0.21 K 0.02 C Shift Assignments>> C :: 179.346 CA :: 60.178 CB :: 28.966 CG :: 37.110 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.675 HA :: 3.999 HB2 :: 1.896 HB3 :: 2.005 HG2 :: 2.243 HG3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.409 Ave N Shift Values>> N :: 120.67(3.48) 1.Q8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.22 Q 0.18 K 0.18 I 0.05 M 0.02 R 0.01 HN Overlap>> 1.W143 1.W143 C Shift Assignments>> C :: 177.276 CA :: 58.706 CB :: 29.157 CG :: 34.938 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.678 HA :: 3.745 HB2 :: 1.164(S) HB3 :: 2.130 HG2 :: 2.160 HG3 :: 2.248 HE21 :: 6.643 HE22 :: 7.628 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.762 NE2 :: 110.975 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.E139 1.E139 C Shift Assignments>> C :: 177.843 CA :: 65.749 CB :: 37.601 CG1 :: 30.151 CG2 :: 17.617 CD1 :: 12.719 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.078 HA :: 3.363 HB :: 1.826 HG12 :: 0.994 HG13 :: 1.605 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.129 Ave N Shift Values>> N :: 121.46(4.28) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.406 CA :: 55.347 CB :: 17.951 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.830 HA :: 4.099 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.760 Ave N Shift Values>> N :: 123.23(3.54) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.15 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.395 CA :: 59.319 CB :: 29.492 CG :: 36.281 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.698 HA :: 4.149 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.468 HG3 :: 2.468 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.849 Ave N Shift Values>> N :: 120.67(3.48) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 F 0.32 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 178.506 CA :: 57.581 CB :: 36.582 CD1 :: 130.086 CD2 :: 130.086 CE1 :: 131.395 CE2 :: 131.395 CZ :: 128.892 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.052 HA :: 4.889 HB2 :: 3.909 HB3 :: 3.571 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 7.293 HE2 :: 7.293 HZ :: 7.110 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.252 Ave N Shift Values>> N :: 120.45(4.18) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.38 R 0.12 C Shift Assignments>> C :: 177.631 CA :: 59.852 CB :: 31.382 CG :: 24.405 CD :: 28.277 CE :: 41.656 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.129 HA :: 3.686 HB2 :: 1.637 HB3 :: 1.918 HG2 :: 0.760 HG3 :: 1.156 HD2 :: 1.052 HD3 :: 1.193 HE2 :: 2.514 HE3 :: 2.514 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.736 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.12 K 0.1 C 0.1 I 0.04 N 0.01 HN Overlap>> 1.E31 1.M72 1.E31 1.M72 C Shift Assignments>> C :: 178.387 CA :: 57.290 CB :: 40.747 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.778 HA :: 4.401 HB2 :: 2.692 HB3 :: 2.786 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.810 Ave N Shift Values>> N :: 120.65(3.86) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.24 C 0.05 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 179.023 CA :: 54.800 CB :: 19.510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.551 HA :: 4.349 HB1 :: 1.627 HB2 :: 1.627 HB3 :: 1.627 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 123.23(3.54) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 C Shift Assignments>> C :: 177.891 CA :: 62.347 CB :: 40.972 CD1 :: 132.401 CD2 :: 132.401 CE1 :: 131.356 CE2 :: 131.356 CZ :: 130.399 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.889 HA :: 3.776 HB2 :: 3.120 HB3 :: 3.364 HD1 :: 6.732 HD2 :: 6.732 HE1 :: 6.930 HE2 :: 6.930 HZ :: 7.367 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.409 Ave N Shift Values>> N :: 120.45(4.18) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.574 CA :: 65.432 CB :: 31.676 CG1 :: 21.294 CG2 :: 21.182 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.527 HA :: 3.880 HB :: 2.333 HG11 :: 1.124 HG12 :: 1.124 HG13 :: 1.124 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.297 Ave N Shift Values>> N :: 121.14(4.54) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.27 K 0.22 R 0.11 E 0.04 I 0.01 M 0.01 C Shift Assignments>> C :: 177.016 CA :: 57.768 CB :: 27.877 CG :: 33.798 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.396 HA :: 3.926 HB2 :: 2.060 HB3 :: 1.947 HG2 :: 2.385 HG3 :: 2.483 HE21 :: 7.396 HE22 :: 6.798 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.702 NE2 :: 112.916 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 174.864 CA :: 58.718 CB :: 39.721 CD1 :: 132.321 CD2 :: 132.321 CE1 :: 131.261 CE2 :: 131.261 CZ :: 129.092 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.680 HA :: 4.237 HB2 :: 2.655 HB3 :: 3.029 HD1 :: 7.337 HD2 :: 7.337 HE1 :: 7.265 HE2 :: 7.265 HZ :: 7.082 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.347 Ave N Shift Values>> N :: 120.45(4.18) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.27 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.842 CA :: 52.191 CB :: 39.729 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.471 HA :: 4.905 HB2 :: 2.098 HB3 :: 2.726 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.614 Ave N Shift Values>> N :: 120.65(3.86) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 178.698 CA :: 58.765 CB :: 32.502 CG :: 25.140 CD :: 28.934 CE :: 42.105 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.049 HA :: 4.019 HB2 :: 1.834 HB3 :: 1.834 HG2 :: 1.408 HG3 :: 1.453 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.966 HE3 :: 2.966 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.862 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.37 M 0.07 K 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 177.213 CA :: 56.157 CB :: 30.082 CG :: 36.784 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.736 HA :: 4.380 HB2 :: 2.010 HB3 :: 2.237 HG2 :: 2.220 HG3 :: 2.267 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.581 Ave N Shift Values>> N :: 120.67(3.48) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 176.148 CA :: 47.408 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.947 HA2 :: 3.872 HA3 :: 3.872 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.270 Ave N Shift Values>> N :: 109.67(3.87) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 176.833 CA :: 62.261 CB :: 70.697 CG2 :: 22.196 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.289 HA :: 4.316 HB :: 4.337 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.004 Ave N Shift Values>> N :: 115.42(4.75) 1.G25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.561 CA :: 45.427 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.736(S) HA2 :: 3.778 HA3 :: 4.325 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.270 Ave N Shift Values>> N :: 109.67(3.87) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.3 K 0.17 G 0.02 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 174.593 CA :: 54.642 CB :: 37.065 CG :: 25.212 CD :: 29.506 CE :: 42.410 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.724 HA :: 5.412 HB2 :: 1.503 HB3 :: 1.569 HG2 :: 1.212 HG3 :: 1.307 HD2 :: 1.449 HD3 :: 1.579 HE2 :: 2.954 HE3 :: 2.954 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.662 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.35 A 0.02 C Shift Assignments>> C :: 174.944 CA :: 58.314 CB :: 41.614 CG1 :: 25.360 CG2 :: 17.557 CD1 :: 14.581 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.538 HA :: 4.548 HB :: 1.547 HG12 :: 0.743 HG13 :: 1.106 HG21 :: -0.047 HG22 :: -0.047 HG23 :: -0.047 HD11 :: 0.256 HD12 :: 0.256 HD13 :: 0.256 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 111.472 Ave N Shift Values>> N :: 121.46(4.28) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.05 C 0.01 C Shift Assignments>> C :: 179.715 CA :: 51.346 CB :: 19.358 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.657 HA :: 4.800 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.211 Ave N Shift Values>> N :: 123.23(3.54) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 T 0.42 C Shift Assignments>> C :: 177.382 CA :: 65.758 CB :: 67.310 CG2 :: 24.146 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.485 HA :: 3.592 HB :: 4.151 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.429 Ave N Shift Values>> N :: 115.42(4.75) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.41 K 0.07 G 0.04 L 0.02 C Shift Assignments>> C :: 177.009 CA :: 58.098 CB :: 29.433 CG :: 27.082 CD :: 43.165 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.992 HA :: 4.221 HB2 :: 1.932 HB3 :: 1.852 HG2 :: 1.576 HG3 :: 1.630 HD2 :: 3.194 HD3 :: 3.194 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.36 M 0.06 K 0.06 I 0.03 Q 0.02 HN Overlap>> 1.D14 1.D14 1.M72 1.M72 C Shift Assignments>> C :: 175.966 CA :: 55.854 CB :: 29.851 CG :: 36.754 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.779 HA :: 4.621 HB2 :: 2.250 HB3 :: 1.861 HG2 :: 2.249 HG3 :: 2.376 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.845 Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.35 R 0.12 G 0.01 C Shift Assignments>> C :: 178.018 CA :: 58.570 CB :: 42.089 CG :: 27.038 CD1 :: 23.319 CD2 :: 26.411 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.537 HA :: 3.658 HB2 :: 1.373 HB3 :: 1.834 HG :: 1.470 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.007 Ave N Shift Values>> N :: 121.86(3.9) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 P 0.31 A 0.12 C 0.09 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 175.153 CA :: 48.164 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.946 HA2 :: 3.448 HA3 :: 3.782 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.131 Ave N Shift Values>> N :: 109.67(3.87) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.897 CA :: 66.084 CB :: 68.432 CG2 :: 22.745 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.765 HA :: 3.822 HB :: 4.139 HG21 :: 1.386 HG22 :: 1.386 HG23 :: 1.386 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.338 Ave N Shift Values>> N :: 115.42(4.75) 1.L35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 L 0.18 C Shift Assignments>> C :: 178.612 CA :: 58.389 CB :: 40.184 CG :: 27.116 CD1 :: 22.720 CD2 :: 27.160 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.686 HA :: 3.659 HB2 :: 0.321(S) HB3 :: 1.417 HG :: 1.048 HD11 :: 0.533 HD12 :: 0.533 HD13 :: 0.533 HD21 :: -0.106 HD22 :: -0.106 HD23 :: -0.106 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.860 Ave N Shift Values>> N :: 121.86(3.9) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.17 C Shift Assignments>> C :: 178.652 CA :: 61.275 CB :: 32.886 CG :: 33.527 CE :: 16.741 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.818 HA :: 3.741 HB2 :: 1.894 HB3 :: 2.001 HG2 :: 2.461 HG3 :: 2.849 HE1 :: 1.755 HE2 :: 1.755 HE3 :: 1.755 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.884 Ave N Shift Values>> N :: 120.09(3.57) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.22 G 0.12 K 0.06 C Shift Assignments>> C :: 181.584 CA :: 59.325 CB :: 30.209 CG :: 29.280 CD :: 43.604 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.248 HA :: 4.613 HB2 :: 1.916 HB3 :: 1.944 HG2 :: 1.824 HG3 :: 1.892 HD2 :: 3.077 HD3 :: 3.243 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.636 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.425 CA :: 66.284 CB :: 69.224 CG2 :: 21.322 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.141 HA :: 4.191 HB :: 4.581 HG21 :: 1.469 HG22 :: 1.469 HG23 :: 1.469 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.930 Ave N Shift Values>> N :: 115.42(4.75) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.22 R 0.13 A 0.05 G 0.03 C Shift Assignments>> C :: 177.009 CA :: 54.360 CB :: 42.690 CG :: 26.779 CD1 :: 26.724 CD2 :: 22.953 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.257 HA :: 4.567 HB2 :: 1.746 HB3 :: 1.875 HG :: 1.717 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 HD21 :: 1.147 HD22 :: 1.147 HD23 :: 1.147 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.627 Ave N Shift Values>> N :: 121.86(3.9) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.414 CA :: 45.987 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.768 HA2 :: 3.802 HA3 :: 4.238 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.889 Ave N Shift Values>> N :: 109.67(3.87) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.23 M 0.21 K 0.18 E 0.02 R 0.01 C Shift Assignments>> C :: 173.880 CA :: 53.575 CB :: 30.222 CG :: 33.407 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.927 HA :: 4.423 HB2 :: 1.519 HB3 :: 2.091 HG2 :: 1.978 HG3 :: 2.165 HE21 :: 6.956 HE22 :: 7.646 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.910 NE2 :: 113.588 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.22 C 0.07 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 171.911 CA :: 51.109 CB :: 39.523 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.687 HA :: 5.168 HB2 :: 2.498 HB3 :: 2.726 HD21 :: 6.719 HD22 :: 7.527 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.124 ND2 :: 112.570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 177.609 CA :: 62.425 CB :: 31.574 CG :: 27.206 CD :: 50.110 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.706 HB2 :: 2.071 HB3 :: 1.937 HG2 :: 1.903 HG3 :: 1.988 HD2 :: 3.230 HD3 :: 3.642 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.080 CA :: 60.942 CB :: 70.840 CG2 :: 21.838 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.905 HA :: 4.362 HB :: 4.683 HG21 :: 1.340 HG22 :: 1.340 HG23 :: 1.340 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.526 Ave N Shift Values>> N :: 115.42(4.75) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.28 I 0.26 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.100 CA :: 59.982 CB :: 29.124 CG :: 36.476 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.824 HA :: 3.973 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.288 HG3 :: 2.355 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.764 Ave N Shift Values>> N :: 120.67(3.48) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 I 0.03 C 0.02 C Shift Assignments>> C :: 180.467 CA :: 55.023 CB :: 18.297 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.321 HA :: 4.060 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.902 Ave N Shift Values>> N :: 123.23(3.54) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.35 I 0.16 K 0.02 M 0.02 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 180.014 CA :: 58.800 CB :: 29.873 CG :: 37.137 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.730 HA :: 4.006 HB2 :: 2.278 HB3 :: 1.837 HG2 :: 2.236 HG3 :: 2.352 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.718 Ave N Shift Values>> N :: 120.67(3.48) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 C Shift Assignments>> C :: 178.266 CA :: 58.030 CB :: 41.892 CG :: 27.172 CD1 :: 24.565 CD2 :: 24.748 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.425 HA :: 3.924 HB2 :: 1.646 HB3 :: 1.646 HG :: 1.601 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.756 Ave N Shift Values>> N :: 121.86(3.9) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.21 R 0.09 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.833 CA :: 58.879 CB :: 27.928 CG :: 33.874 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.040 HA :: 3.878 HB2 :: 2.104 HB3 :: 2.159 HG2 :: 2.465 HG3 :: 2.465 HE21 :: 7.539 HE22 :: 6.822 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.651 NE2 :: 112.290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 178.764 CA :: 57.292 CB :: 40.558 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.557 HA :: 4.483 HB2 :: 2.669 HB3 :: 2.716 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.260 Ave N Shift Values>> N :: 120.65(3.86) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.03 G 0.02 C Shift Assignments>> C :: 179.876 CA :: 57.786 CB :: 42.523 CG :: 26.509 CD1 :: 25.103 CD2 :: 22.917 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.032 HA :: 4.068 HB2 :: 2.021 HB3 :: 1.277 HG :: 1.918 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.721 Ave N Shift Values>> N :: 121.86(3.9) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.968 CA :: 64.279 CB :: 38.522 CG1 :: 28.208 CG2 :: 17.719 CD1 :: 13.811 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.148 HA :: 3.768 HB :: 1.926 HG12 :: 1.105 HG13 :: 1.533 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.482 Ave N Shift Values>> N :: 121.46(4.28) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 180.138 CA :: 55.444 CB :: 18.267 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.749 HA :: 4.079 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.862 Ave N Shift Values>> N :: 123.23(3.54) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.14 K 0.08 Q 0.04 M 0.01 HN Overlap>> 1.R126 1.R126 C Shift Assignments>> C :: 178.339 CA :: 58.966 CB :: 29.359 CG :: 36.203 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.059 HA :: 4.080 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.259 HG3 :: 2.351 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.672 Ave N Shift Values>> N :: 120.67(3.48) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.29 C 0.02 I 0.01 C Shift Assignments>> C :: 180.862 CA :: 54.114 CB :: 18.729 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.043 HA :: 4.276 HB1 :: 1.391 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.222 Ave N Shift Values>> N :: 123.23(3.54) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.19 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.593 CA :: 58.978 CB :: 29.407 CG :: 36.860 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.616 HA :: 3.954 HB2 :: 2.035 HB3 :: 2.111 HG2 :: 2.210 HG3 :: 2.363 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.996 Ave N Shift Values>> N :: 120.67(3.48) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.2 Y 0.14 F 0.14 C 0.11 L 0.08 I 0.01 C Shift Assignments>> C :: 176.438 CA :: 54.826 CB :: 39.219 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.099 HA :: 4.627 HB2 :: 2.763 HB3 :: 2.797 HD21 :: 6.946 HD22 :: 7.684 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.962 ND2 :: 113.433 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.27 L 0.12 F 0.11 Y 0.09 C 0.07 C Shift Assignments>> C :: 175.618 CA :: 54.082 CB :: 39.886 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.515 HA :: 4.837 HB2 :: 2.796 HB3 :: 2.834 HD21 :: 6.954 HD22 :: 7.728 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.766 ND2 :: 113.941 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.27 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 175.773 CA :: 53.238 CB :: 39.678 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.168 HA :: 4.960 HB2 :: 2.806 HB3 :: 3.224 HD21 :: 6.898 HD22 :: 7.703 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.724 ND2 :: 112.902 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.13 Y 0.11 D 0.11 F 0.1 L 0.03 E 0.03 M 0.02 C Shift Assignments>> C :: 175.563 CA :: 54.146 CB :: 38.194 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.698 HA :: 4.577 HB2 :: 2.735 HB3 :: 3.027 HD21 :: 6.861 HD22 :: 7.527 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.612 ND2 :: 112.560 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.471 CA :: 46.622 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.389 HA2 :: 3.685 HA3 :: 4.116 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.082 Ave N Shift Values>> N :: 109.67(3.87) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.44 Q 0.07 E 0.01 C Shift Assignments>> C :: 174.454 CA :: 54.232 CB :: 33.545 CG :: 33.802 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.508 HA :: 5.337 HB2 :: 1.948 HB3 :: 1.895 HG2 :: 2.171 HG3 :: 2.301 HE21 :: 6.753 HE22 :: 7.333 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.876 NE2 :: 111.341 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.31 L 0.08 C Shift Assignments>> C :: 175.939 CA :: 53.717 CB :: 46.176 CG :: 26.101 CD1 :: 25.723 CD2 :: 27.587 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.053 HA :: 4.981 HB2 :: 1.606 HB3 :: 1.606 HG :: 1.628 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.885 Ave N Shift Values>> N :: 121.86(3.9) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.18 C 0.07 L 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.761 CA :: 50.918 CB :: 39.264 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.242 HA :: 5.653 HB2 :: 3.488 HB3 :: 2.769 HD21 :: 6.894 HD22 :: 7.435 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.492 ND2 :: 110.708 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 177.445 CA :: 62.008 CB :: 38.892 CD1 :: 131.768 CD2 :: 131.768 CE1 :: 130.633 CE2 :: 130.633 CZ :: 130.254 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.649 HA :: 3.605 HB2 :: 2.643 HB3 :: 2.322 HD1 :: 6.604 HD2 :: 6.604 HE1 :: 7.085 HE2 :: 7.085 HZ :: 7.511 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.334 Ave N Shift Values>> N :: 120.45(4.18) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.935 CA :: 66.990 CB :: 68.422 CG2 :: 21.894 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.104 HA :: 3.596 HB :: 4.184 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.328 Ave N Shift Values>> N :: 115.42(4.75) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.16 K 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 180.199 CA :: 58.937 CB :: 29.770 CG :: 36.886 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.738 HA :: 3.957 HB2 :: 1.896 HB3 :: 2.355 HG2 :: 2.263 HG3 :: 2.466 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.544 Ave N Shift Values>> N :: 120.67(3.48) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 176.369 CA :: 61.556 CB :: 39.144 CD1 :: 131.248 CD2 :: 131.248 CE1 :: 131.890 CE2 :: 131.890 CZ :: 130.633 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.672 HA :: 4.082 HB2 :: 3.156 HB3 :: 3.156 HD1 :: 6.936 HD2 :: 6.936 HE1 :: 7.223 HE2 :: 7.223 HZ :: 6.938 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.984 Ave N Shift Values>> N :: 120.45(4.18) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.39 C 0.09 C Shift Assignments>> C :: 176.517 CA :: 65.054 CB :: 26.475 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.314 HA :: 3.343 HB2 :: 2.325 HB3 :: 2.769 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.704 Ave N Shift Values>> N :: 120.17(4.64) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 176.456 CA :: 47.070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.697 HA2 :: 3.721 HA3 :: 3.788 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.485 Ave N Shift Values>> N :: 109.67(3.87) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.168 CA :: 65.213 CB :: 38.246 CG1 :: 29.579 CG2 :: 17.291 CD1 :: 14.916 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.525 HA :: 3.572 HB :: 1.808 HG12 :: 1.061 HG13 :: 1.706 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.890 Ave N Shift Values>> N :: 121.46(4.28) 1.M72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.45 C 0.44 A 0.09 HN Overlap>> 1.D14 1.E31 1.D14 1.E31 C Shift Assignments>> C :: 178.681 CA :: 56.048 CB :: 30.355 CG :: 32.460 CE :: 16.849 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.669 HA :: 3.974 HB2 :: 1.518 HB3 :: 1.425 HG2 :: 0.903(S) HG3 :: 1.040(S) HE1 :: 1.518 HE2 :: 1.518 HE3 :: 1.518 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.820 Ave N Shift Values>> N :: 120.09(3.57) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.021 CA :: 55.058 CB :: 17.980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.329 HA :: 3.980 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.480 Ave N Shift Values>> N :: 123.23(3.54) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 C Shift Assignments>> C :: 178.329 CA :: 58.740 CB :: 32.456 CG :: 25.148 CD :: 29.534 CE :: 42.055 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.357 HA :: 4.015 HB2 :: 1.867 HB3 :: 1.907 HG2 :: 1.387 HG3 :: 1.498 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.905 HE3 :: 2.905 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.993 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.27 C 0.26 R 0.1 M 0.04 E 0.03 C Shift Assignments>> C :: 177.232 CA :: 56.818 CB :: 28.461 CG :: 33.379 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.884 HA :: 4.018 HB2 :: 2.037 HB3 :: 2.037 HG2 :: 2.200 HG3 :: 2.200 HE21 :: 6.795 HE22 :: 7.363 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.200 NE2 :: 110.022 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.43 A 0.06 C Shift Assignments>> C :: 176.245 CA :: 56.472 CB :: 33.248 CG :: 32.087 CE :: 16.934 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.806 HA :: 4.250 HB2 :: 1.990 HB3 :: 2.186 HG2 :: 2.534 HG3 :: 2.662 HE1 :: 2.082 HE2 :: 2.082 HE3 :: 2.082 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.887 Ave N Shift Values>> N :: 120.09(3.57) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.4 G 0.08 K 0.03 HN Overlap>> 1.N111 1.N111 C Shift Assignments>> C :: 176.571 CA :: 56.741 CB :: 30.846 CG :: 27.063 CD :: 43.532 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.723 HA :: 4.271 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.668 HG3 :: 1.668 HD2 :: 3.196 HD3 :: 3.196 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.950 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.09 K 0.06 Q 0.05 I 0.02 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> C :: 176.942 CA :: 56.686 CB :: 30.265 CG :: 36.302 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.476 HA :: 4.354 HB2 :: 2.086 HB3 :: 1.964 HG2 :: 2.269 HG3 :: 2.346 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.440 Ave N Shift Values>> N :: 120.67(3.48) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.378 CA :: 62.276 CB :: 70.020 CG2 :: 21.683 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.231 HA :: 4.303 HB :: 4.206 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.617 Ave N Shift Values>> N :: 115.42(4.75) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 177.073 CA :: 54.466 CB :: 41.233 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.524 HA :: 4.722 HB2 :: 2.698 HB3 :: 2.815 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.799 Ave N Shift Values>> N :: 120.65(3.86) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.716 CA :: 63.567 CB :: 69.509 CG2 :: 21.920 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.335 HA :: 4.273 HB :: 4.357 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.712 Ave N Shift Values>> N :: 115.42(4.75) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.12 K 0.07 Q 0.03 M 0.02 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 177.697 CA :: 58.669 CB :: 29.548 CG :: 36.399 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.384 HA :: 4.223 HB2 :: 2.124 HB3 :: 2.103 HG2 :: 2.305 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.440 Ave N Shift Values>> N :: 120.67(3.48) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.16 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.735 CA :: 59.308 CB :: 29.506 CG :: 36.330 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.208 HA :: 4.037 HB2 :: 2.082 HB3 :: 2.082 HG2 :: 2.306 HG3 :: 2.346 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.699 Ave N Shift Values>> N :: 120.67(3.48) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.2 K 0.04 Q 0.01 M 0.01 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 179.920 CA :: 59.590 CB :: 29.562 CG :: 36.665 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.239 HA :: 4.101 HB2 :: 2.182 HB3 :: 2.182 HG2 :: 2.394 HG3 :: 2.470 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.985 Ave N Shift Values>> N :: 120.67(3.48) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 178.517 CA :: 58.660 CB :: 32.777 CG :: 33.160 CE :: 17.489 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.263 HA :: 4.540 HB2 :: 2.242 HB3 :: 2.633 HG2 :: 2.634 HG3 :: 2.849 HE1 :: 2.013 HE2 :: 2.013 HE3 :: 2.013 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.226 Ave N Shift Values>> N :: 120.09(3.57) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.43 K 0.05 G 0.04 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> C :: 179.766 CA :: 59.526 CB :: 29.799 CG :: 27.228 CD :: 42.974 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.493 HA :: 4.084 HB2 :: 1.747 HB3 :: 2.045 HG2 :: 1.475 HG3 :: 1.758 HD2 :: 2.813 HD3 :: 2.864 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.760 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.14 K 0.1 Q 0.05 M 0.01 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> C :: 179.026 CA :: 58.956 CB :: 29.082 CG :: 36.029 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.201 HA :: 4.050 HB2 :: 2.125 HB3 :: 2.125 HG2 :: 2.386 HG3 :: 2.386 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.897 Ave N Shift Values>> N :: 120.67(3.48) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 179.452 CA :: 55.186 CB :: 17.862 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.072 HA :: 4.236 HB1 :: 1.816 HB2 :: 1.816 HB3 :: 1.816 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.582 Ave N Shift Values>> N :: 123.23(3.54) 1.F89 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 HN Overlap>> 1.V142 1.V142 C Shift Assignments>> C :: 176.756 CA :: 62.020 CB :: 39.450 CD1 :: 131.785 CD2 :: 131.785 CE1 :: 131.238 CE2 :: 131.238 CZ :: 129.558 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.454 HA :: 3.090 HB2 :: 3.037 HB3 :: 3.152 HD1 :: 6.669 HD2 :: 6.669 HE1 :: 6.979 HE2 :: 6.979 HZ :: 7.094 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.972 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.4 R 0.14 C Shift Assignments>> C :: 178.112 CA :: 59.094 CB :: 32.665 CG :: 25.558 CD :: 29.723 CE :: 42.044 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.590 HA :: 3.845 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 1.510 HG3 :: 1.766 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.909 HE3 :: 2.909 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.581 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.444 CA :: 63.590 CB :: 37.351 CG1 :: 28.574 CG2 :: 16.914 CD1 :: 12.350 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.352 HA :: 3.583 HB :: 2.032 HG12 :: 1.221 HG13 :: 1.646 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.944 Ave N Shift Values>> N :: 121.46(4.28) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 176.824 CA :: 59.937 CB :: 40.792 CD1 :: 131.797 CD2 :: 131.797 CE1 :: 131.252 CE2 :: 131.252 CZ :: 130.068 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.251 HA :: 4.229 HB2 :: 2.589 HB3 :: 2.621 HD1 :: 7.294 HD2 :: 7.294 HE1 :: 7.390 HE2 :: 7.390 HZ :: 7.334 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.116 Ave N Shift Values>> N :: 120.45(4.18) 1.D93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.64 D 0.12 C 0.09 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 177.053 CA :: 52.150 CB :: 38.384 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.808 HA :: 4.496 HB2 :: 1.402(S) HB3 :: 2.278 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.681 Ave N Shift Values>> N :: 120.65(3.86) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.45 K 0.05 G 0.03 C Shift Assignments>> C :: 178.283 CA :: 58.787 CB :: 30.508 CG :: 27.000 CD :: 42.983 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.558 HA :: 3.855 HB2 :: 1.843 HB3 :: 1.705 HG2 :: 1.605 HG3 :: 1.704 HD2 :: 2.967 HD3 :: 3.121 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.531 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.3 L 0.1 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 177.941 CA :: 52.994 CB :: 39.907 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.239 HA :: 4.546 HB2 :: 3.053 HB3 :: 2.577 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.117 Ave N Shift Values>> N :: 120.65(3.86) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 175.259 CA :: 47.400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.677 HA2 :: 3.802 HA3 :: 3.885 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.842 Ave N Shift Values>> N :: 109.67(3.87) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.2 L 0.16 F 0.1 Y 0.08 C 0.06 K 0.03 C Shift Assignments>> C :: 176.840 CA :: 54.050 CB :: 40.436 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.488 HA :: 4.468 HB2 :: 2.568 HB3 :: 3.144 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.034 Ave N Shift Values>> N :: 120.65(3.86) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.505 CA :: 45.000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.408 HA2 :: 3.418 HA3 :: 4.010 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.397 Ave N Shift Values>> N :: 109.67(3.87) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 F 0.36 C 0.11 C Shift Assignments>> C :: 174.678 CA :: 56.158 CB :: 44.466 CD1 :: 132.334 CD2 :: 132.334 CE1 :: 131.472 CE2 :: 131.472 CZ :: 129.990 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.160 HA :: 5.158 HB2 :: 2.735 HB3 :: 2.817 HD1 :: 6.899 HD2 :: 6.899 HE1 :: 7.436 HE2 :: 7.436 HZ :: 7.269 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.085 Ave N Shift Values>> N :: 120.45(4.18) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.682 CA :: 60.572 CB :: 38.817 CG1 :: 26.847 CG2 :: 18.071 CD1 :: 16.075 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 10.273 HA :: 4.751 HB :: 1.935 HG12 :: 0.202 HG13 :: 1.240 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 HD11 :: 0.340 HD12 :: 0.340 HD13 :: 0.340 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.340 Ave N Shift Values>> N :: 121.46(4.28) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.596 CA :: 55.898 CB :: 63.612 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.527 HA :: 5.091 HB2 :: 4.423 HB3 :: 3.992 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 125.969 Ave N Shift Values>> N :: 116.28(3.52) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 178.363 CA :: 66.529 CB :: 31.451 CG :: 28.515 CD :: 49.940 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.112 HB2 :: 2.015 HB3 :: 2.363 HG2 :: 2.083 HG3 :: 2.349 HD2 :: 3.999 HD3 :: 4.056 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.03 C Shift Assignments>> C :: 181.590 CA :: 55.162 CB :: 18.517 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.003 HA :: 4.087 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.252 Ave N Shift Values>> N :: 123.23(3.54) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.36 E 0.15 K 0.01 C Shift Assignments>> C :: 178.819 CA :: 59.457 CB :: 29.265 CG :: 38.024 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.979 HA :: 4.053 HB2 :: 2.632 HB3 :: 2.652 HG2 :: 2.240 HG3 :: 2.240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.099 Ave N Shift Values>> N :: 120.67(3.48) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.38 R 0.13 G 0.01 HN Overlap>> 1.R86 1.R86 C Shift Assignments>> C :: 178.391 CA :: 58.400 CB :: 42.128 CG :: 27.120 CD1 :: 24.266 CD2 :: 26.492 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.531 HA :: 4.146 HB2 :: 1.945 HB3 :: 1.508 HG :: 1.673 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.942 HD22 :: 0.942 HD23 :: 0.942 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.758 Ave N Shift Values>> N :: 121.86(3.9) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.34 G 0.09 K 0.05 C Shift Assignments>> C :: 177.174 CA :: 60.228 CB :: 30.582 CG :: 28.165 CD :: 43.445 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.320 HA :: 3.759 HB2 :: 1.900 HB3 :: 1.900 HG2 :: 1.604 HG3 :: 1.604 HD2 :: 3.172 HD3 :: 3.227 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.083 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.39 C 0.16 C Shift Assignments>> C :: 178.085 CA :: 61.502 CB :: 39.622 CD1 :: 131.983 CD2 :: 131.983 CE1 :: 131.155 CE2 :: 131.155 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.853 HA :: 4.063 HB2 :: 3.257 HB3 :: 3.257 HD1 :: 7.188 HD2 :: 7.188 HE1 :: 7.295 HE2 :: 7.295 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.281 Ave N Shift Values>> N :: 120.45(4.18) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.125 CA :: 66.543 CB :: 31.770 CG1 :: 20.903 CG2 :: 23.479 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.054 HA :: 3.435 HB :: 2.002 HG11 :: 0.319 HG12 :: 0.319 HG13 :: 0.319 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.830 Ave N Shift Values>> N :: 121.14(4.54) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.33 C Shift Assignments>> C :: 178.833 CA :: 58.822 CB :: 31.901 CG :: 33.460 CE :: 17.774 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.152 HA :: 4.125 HB2 :: 2.162 HB3 :: 1.904 HG2 :: 2.698 HG3 :: 2.725 HE1 :: 2.025 HE2 :: 2.025 HE3 :: 2.025 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.781 Ave N Shift Values>> N :: 120.09(3.57) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 180.408 CA :: 64.202 CB :: 37.355 CG1 :: 29.019 CG2 :: 17.079 CD1 :: 12.976 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.223 HA :: 3.949 HB :: 1.857 HG12 :: 1.244 HG13 :: 1.621 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.497 Ave N Shift Values>> N :: 121.46(4.28) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.16 N 0.14 D 0.1 L 0.04 I 0.04 E 0.03 M 0.01 HN Overlap>> 1.R77 1.R77 C Shift Assignments>> C :: 176.873 CA :: 56.075 CB :: 38.599 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.769 HA :: 4.359 HB2 :: 2.559 HB3 :: 2.622 HD21 :: 6.155 HD22 :: 7.196 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.946 ND2 :: 112.956 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 A 0.05 R 0.05 G 0.01 C Shift Assignments>> C :: 177.832 CA :: 55.546 CB :: 42.447 CG :: 26.350 CD1 :: 25.702 CD2 :: 22.389 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.943 HA :: 4.292 HB2 :: 1.918 HB3 :: 1.680 HG :: 1.801 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.974 Ave N Shift Values>> N :: 121.86(3.9) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.694 CA :: 45.458 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.881 HA2 :: 3.736 HA3 :: 4.162 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.290 Ave N Shift Values>> N :: 109.67(3.87) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.28 M 0.16 Q 0.12 K 0.07 C Shift Assignments>> C :: 176.088 CA :: 55.651 CB :: 30.473 CG :: 35.692 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.872 HA :: 4.314 HB2 :: 1.735 HB3 :: 1.969 HG2 :: 2.117 HG3 :: 2.260 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.707 Ave N Shift Values>> N :: 120.67(3.48) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.33 R 0.19 C Shift Assignments>> C :: 175.693 CA :: 55.609 CB :: 31.522 CG :: 24.613 CD :: 29.005 CE :: 42.185 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.629 HA :: 4.367 HB2 :: 1.713 HB3 :: 1.767 HG2 :: 1.326 HG3 :: 1.417 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 2.966 HE3 :: 2.966 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.868 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 175.644 CA :: 60.082 CB :: 34.649 CG1 :: 20.234 CG2 :: 21.764 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.675 HA :: 4.639 HB :: 2.018 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.622 Ave N Shift Values>> N :: 121.14(4.54) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 175.455 CA :: 60.302 CB :: 71.728 CG2 :: 21.649 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.611 HA :: 4.578 HB :: 4.708 HG21 :: 1.284 HG22 :: 1.284 HG23 :: 1.284 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.954 Ave N Shift Values>> N :: 115.42(4.75) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.09 L 0.07 D 0.06 K 0.01 N 0.01 C Shift Assignments>> C :: 178.555 CA :: 58.009 CB :: 39.950 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.888 HA :: 4.264 HB2 :: 2.552 HB3 :: 2.735 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.264 Ave N Shift Values>> N :: 120.65(3.86) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.36 E 0.22 K 0.02 C Shift Assignments>> C :: 179.323 CA :: 60.156 CB :: 28.969 CG :: 37.026 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.779 HA :: 4.091 HB2 :: 2.048 HB3 :: 1.951 HG2 :: 2.311 HG3 :: 2.416 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.229 Ave N Shift Values>> N :: 120.67(3.48) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.24 I 0.23 M 0.01 K 0.01 C Shift Assignments>> C :: 179.876 CA :: 59.236 CB :: 30.007 CG :: 37.763 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.727 HA :: 4.003 HB2 :: 1.919 HB3 :: 2.354 HG2 :: 2.272 HG3 :: 2.272 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.564 Ave N Shift Values>> N :: 120.67(3.48) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.367 CA :: 63.415 CB :: 36.167 CG1 :: 28.029 CG2 :: 17.503 CD1 :: 11.288 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.959 HA :: 3.807 HB :: 2.252 HG12 :: 1.434 HG13 :: 1.486 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.687 Ave N Shift Values>> N :: 121.46(4.28) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.11 L 0.1 D 0.09 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 179.305 CA :: 57.718 CB :: 40.446 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.049 HA :: 4.326 HB2 :: 2.634 HB3 :: 2.775 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.271 Ave N Shift Values>> N :: 120.65(3.86) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.13 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.035 CA :: 59.178 CB :: 29.543 CG :: 36.080 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.860 HA :: 4.050 HB2 :: 2.082 HB3 :: 2.082 HG2 :: 2.298 HG3 :: 2.346 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.536 Ave N Shift Values>> N :: 120.67(3.48) 1.M124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.42 C Shift Assignments>> C :: 179.183 CA :: 59.350 CB :: 33.565 CG :: 32.183 CE :: 16.897 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.040 HA :: 4.100 HB2 :: 2.099 HB3 :: 2.335 HG2 :: 2.652 HG3 :: 2.755 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.924 Ave N Shift Values>> N :: 120.09(3.57) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 1.E139 1.E139 C Shift Assignments>> C :: 176.835 CA :: 64.396 CB :: 37.051 CG1 :: 28.658 CG2 :: 15.965 CD1 :: 12.530 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.999 HA :: 3.546 HB :: 2.023 HG12 :: 1.118 HG13 :: 1.684 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.003 Ave N Shift Values>> N :: 121.46(4.28) 1.R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.4 G 0.07 K 0.04 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> C :: 179.508 CA :: 59.738 CB :: 30.195 CG :: 27.728 CD :: 43.356 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.075 HA :: 3.916 HB2 :: 1.841 HB3 :: 1.914 HG2 :: 1.595 HG3 :: 1.738 HD2 :: 3.200 HD3 :: 3.200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.603 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 I 0.1 K 0.04 M 0.04 Q 0.02 HN Overlap>> 1.M135 1.M135 C Shift Assignments>> C :: 176.573 CA :: 58.697 CB :: 30.072 CG :: 36.643 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.869 HA :: 3.900 HB2 :: 2.134 HB3 :: 2.134 HG2 :: 2.379 HG3 :: 2.499 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.798 Ave N Shift Values>> N :: 120.67(3.48) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.05 C 0.03 M 0.01 C Shift Assignments>> C :: 175.809 CA :: 51.753 CB :: 20.722 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.130 HA :: 4.149 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.030 Ave N Shift Values>> N :: 123.23(3.54) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.26 L 0.08 C 0.07 F 0.07 Y 0.06 C Shift Assignments>> C :: 177.575 CA :: 53.008 CB :: 39.546 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.473 HA :: 4.540 HB2 :: 2.421 HB3 :: 2.693 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.354 Ave N Shift Values>> N :: 120.65(3.86) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 177.920 CA :: 59.551 CB :: 38.967 CD1 :: 131.048 CD2 :: 131.048 CE1 :: 131.285 CE2 :: 131.285 CZ :: 129.565 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.217 HA :: 4.316 HB2 :: 3.022 HB3 :: 3.170 HD1 :: 7.082 HD2 :: 7.082 HE1 :: 6.807 HE2 :: 6.807 HZ :: 6.069 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.603 Ave N Shift Values>> N :: 120.45(4.18) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.29 L 0.1 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> C :: 178.374 CA :: 53.360 CB :: 39.831 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.202 HA :: 4.621 HB2 :: 3.080 HB3 :: 2.652 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.915 Ave N Shift Values>> N :: 120.65(3.86) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 175.196 CA :: 47.549 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.515 HA2 :: 3.783 HA3 :: 3.880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.567 Ave N Shift Values>> N :: 109.67(3.87) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 L 0.13 F 0.09 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 177.403 CA :: 53.650 CB :: 40.129 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.281 HA :: 4.429 HB2 :: 2.857 HB3 :: 2.393 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.774 Ave N Shift Values>> N :: 120.65(3.86) 1.G134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 173.004 CA :: 45.639 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.541(S) HA2 :: 3.335 HA3 :: 3.948 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.705 Ave N Shift Values>> N :: 109.67(3.87) 1.M135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 C 0.17 M 0.11 HN Overlap>> 1.E127 1.E127 C Shift Assignments>> C :: 174.962 CA :: 52.453 CB :: 37.342 CG :: 32.275 CE :: 18.125 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.942 HA :: 4.884 HB2 :: 1.803 HB3 :: 1.673 HG2 :: 2.135 HG3 :: 2.135 HE1 :: 1.742 HE2 :: 1.742 HE3 :: 1.742 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.725 Ave N Shift Values>> N :: 120.09(3.57) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.48 A 0.01 C Shift Assignments>> C :: 176.276 CA :: 58.400 CB :: 38.126 CG1 :: 26.857 CG2 :: 17.866 CD1 :: 11.452 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.071 HA :: 5.393 HB :: 2.335 HG12 :: 1.358 HG13 :: 1.324 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.051 Ave N Shift Values>> N :: 121.46(4.28) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.11 D 0.08 Y 0.03 F 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 175.064 CA :: 51.159 CB :: 38.078 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.414 HA :: 5.196 HB2 :: 3.331 HB3 :: 3.331 HD21 :: 6.722 HD22 :: 7.226 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 129.189 ND2 :: 107.848 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 175.886 CA :: 62.914 CB :: 37.770 CD1 :: 132.513 CD2 :: 132.513 CE1 :: 117.990 CE2 :: 117.990 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.390 HA :: 3.545 HB2 :: 2.013 HB3 :: 2.360 HD1 :: 6.431 HD2 :: 6.431 HE1 :: 6.518 HE2 :: 6.518 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.003 Ave N Shift Values>> N :: 120.52(4.2) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.39 E 0.15 K 0.01 HN Overlap>> 1.I125 1.I125 1.I9 1.I9 C Shift Assignments>> C :: 180.497 CA :: 60.546 CB :: 29.117 CG :: 37.496 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.021 HA :: 3.664 HB2 :: 1.984 HB3 :: 2.121 HG2 :: 2.314 HG3 :: 2.394 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.063 Ave N Shift Values>> N :: 120.67(3.48) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.34 I 0.17 K 0.03 M 0.02 C Shift Assignments>> C :: 178.354 CA :: 58.765 CB :: 29.768 CG :: 37.154 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.623 HA :: 4.115 HB2 :: 2.471 HB3 :: 2.285 HG2 :: 2.464 HG3 :: 2.754 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.485 Ave N Shift Values>> N :: 120.67(3.48) 1.F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.250 CA :: 61.396 CB :: 39.500 CD1 :: 132.187 CD2 :: 132.187 CE1 :: 129.612 CE2 :: 129.612 CZ :: 129.713 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.925 HA :: 4.061 HB2 :: 3.230 HB3 :: 3.562 HD1 :: 6.914 HD2 :: 6.914 HE1 :: 6.957 HE2 :: 6.957 HZ :: 7.333 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.197 Ave N Shift Values>> N :: 120.45(4.18) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.F89 1.F89 C Shift Assignments>> C :: 179.453 CA :: 66.517 CB :: 31.614 CG1 :: 21.151 CG2 :: 22.555 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.386 HA :: 3.211 HB :: 1.867 HG11 :: 0.763 HG12 :: 0.763 HG13 :: 0.763 HG21 :: 0.579 HG22 :: 0.579 HG23 :: 0.579 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.037 Ave N Shift Values>> N :: 121.14(4.54) 1.W143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 HN Overlap>> 1.Q8 1.Q8 C Shift Assignments>> C :: 178.558 CA :: 61.991 CB :: 28.637 CD1 :: 127.082 CE3 :: 120.170 CZ2 :: 114.641 CZ3 :: 121.805 CH2 :: 124.628 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.634 HA :: 4.036 HB2 :: 3.335 HB3 :: 3.712 HD1 :: 7.257 HE1 :: 10.101 HE3 :: 7.482 HZ2 :: 7.450 HZ3 :: 7.007 HH2 :: 7.133 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.780 NE1 :: 129.222 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 179.016 CA :: 59.599 CB :: 34.068 CG :: 31.528 CE :: 16.951 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.695 HA :: 3.705 HB2 :: 2.268 HB3 :: 2.268 HG2 :: 2.277 HG3 :: 2.626 HE1 :: 1.909 HE2 :: 1.909 HE3 :: 1.909 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.703 Ave N Shift Values>> N :: 120.09(3.57) 1.I145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.629 CA :: 61.751 CB :: 37.276 CG1 :: 26.754 CG2 :: 18.027 CD1 :: 12.355 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.217 HA :: 3.846 HB :: 1.531 HG12 :: 0.838 HG13 :: 0.786 HG21 :: 0.475 HG22 :: 0.475 HG23 :: 0.475 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.175 Ave N Shift Values>> N :: 121.46(4.28) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.268 CA :: 59.686 CB :: 63.699 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.529 HA :: 4.290 HB2 :: 3.798 HB3 :: 3.798 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.098 Ave N Shift Values>> N :: 116.28(3.52) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.25 C 0.22 R 0.12 M 0.08 C Shift Assignments>> C :: 175.127 CA :: 55.357 CB :: 28.662 CG :: 32.747 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.335 HA :: 3.964 HB2 :: 1.905 HB3 :: 1.626 HG2 :: 1.585 HG3 :: 1.797 HE21 :: 6.695 HE22 :: 6.262 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.677 NE2 :: 113.548 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.1 C Shift Assignments>> C :: 181.291 CA :: 57.625 CB :: 33.314 CG :: 24.559 CD :: 28.884 CE :: 42.051 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.410 HA :: 3.993 HB2 :: 1.573 HB3 :: 1.721 HG2 :: 1.281 HG3 :: 1.281 HD2 :: 1.526 HD3 :: 1.526 HE2 :: 2.803 HE3 :: 2.803 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.334 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 141 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 1 C Shift Results: #Consistent: 662 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1040 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 161 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q8 HB2 = 1.164(S), Expected = 2.05, Std = 0.2500, ChiSquare = 3.9411e-04 1.G25 H = 10.736(S), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1430e-04 1.L35 HB2 = 0.321(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.4994e-04 1.M72 HG2 = 0.903(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.4623e-05 1.M72 HG3 = 1.040(S), Expected = 2.39, Std = 0.3800, ChiSquare = 3.8140e-04 1.F89 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.D93 HB2 = 1.402(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.9943e-07 1.G134 H = 10.541(S), Expected = 8.33, Std = 0.6500, ChiSquare = 6.7008e-04