Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> CA :: 46.957 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.119 HA3 :: 3.598 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.322 CB :: 64.169 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.417 HB2 :: 4.411 HB3 :: 4.411 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 C Shift Assignments>> C :: 175.879 CA :: 62.138 CB :: 32.958 CG1 :: 21.134 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 :: 8.17 HA :: 4.046 HB :: 1.949 HG11 :: 0.768 HG12 :: 0.768 HG13 :: 0.768 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.214 Ave N Shift Values>> N :: 121.14(4.54) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.497 CA :: 52.439 CB :: 19.424 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.294 HA :: 4.197 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.312 Ave N Shift Values>> N :: 123.23(3.54) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.24 F 0.1 C 0.09 L 0.08 C Shift Assignments>> C :: 175.048 CA :: 53.725 CB :: 39.197 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 :: 8.252 HA :: 4.565 HB2 :: 2.694 HB3 :: 2.622 HD21 :: 7.478 HD22 :: 6.78 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 :: 117.674 ND2 :: 112.513 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 F 0.11 N 0.1 C 0.06 R 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 176.269 CA :: 54.497 CB :: 41.104 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 :: 8.215 HA :: 4.52 HB2 :: 2.597 HB3 :: 2.597 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 :: 119.896 Ave N Shift Values>> N :: 120.65(3.86) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.11 Q 0.05 K 0.05 I 0.02 C Shift Assignments>> C :: 175.006 CA :: 56.689 CB :: 30.379 CG :: 36.271 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 :: 8.065 HA :: 4.243 HB2 :: 1.983 HB3 :: 1.76 HG2 :: 2.139 HG3 :: 2.139 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 :: 119.101 Ave N Shift Values>> N :: 120.67(3.48) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.36 L 0.13 C 0.06 F 0.04 K 0.01 C Shift Assignments>> C :: 172.706 CA :: 51.165 CB :: 40.702 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 :: 7.505 HA :: 4.158 HB2 :: 2.036 HB3 :: 1.67 HD21 :: 6.913 HD22 :: 6.379 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 :: 116.852 ND2 :: 111.387 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.14 V 0.11 R 0.1 K 0.09 E 0.09 H 0.08 M 0.06 Q 0.04 I 0.01 P 0.01 C Shift Assignments>> C :: 178.37 CA :: 59.552 CB :: 31.526 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.614 HA :: 3.794 HB2 :: 3.392 HB3 :: 2.11 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 :: 122.855 Ave N Shift Values>> N :: 120.17(4.64) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 174.111 CA :: 46.967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.235 HA2 :: 3.91 HA3 :: 3.795 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.295 Ave N Shift Values>> N :: 109.67(3.87) 1.I11 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.D6 1.D6 C Shift Assignments>> C :: 176.121 CA :: 64.041 CB :: 39.411 CG1 :: 28.154 CG2 :: 16.803 CD1 :: 13.344 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 :: 8.285 HA :: 3.809 HB :: 1.491 HG12 :: 1.067 HG13 :: 0.146 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 HD11 :: -0.137 HD12 :: -0.137 HD13 :: -0.137 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.811 Ave N Shift Values>> N :: 121.46(4.28) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.13 V 0.12 W 0.11 R 0.09 M 0.09 H 0.07 E 0.06 Q 0.04 C Shift Assignments>> C :: 175.975 CA :: 59.225 CB :: 32.246 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.607 HA :: 4.576 HB2 :: 3.021 HB3 :: 2.971 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 :: 116.728 Ave N Shift Values>> N :: 120.17(4.64) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.33 K 0.15 R 0.1 G 0.03 C Shift Assignments>> C :: 174.979 CA :: 57.636 CB :: 26.326 CG :: 27.591 CD :: 42.941 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 :: 7.987 HA :: 3.742 HB2 :: 2.004 HB3 :: 1.827 HG2 :: 1.338 HG3 :: 1.281 HD2 :: 2.982 HD3 :: 2.982 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.073 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.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.26 C 0.25 C Shift Assignments>> C :: 176.143 CA :: 54.208 CB :: 33.951 CG :: 32.566 CE :: 17.076 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 :: 8.624 HA :: 4.547 HB2 :: 2.35 HB3 :: 2.192 HG2 :: 2.467 HG3 :: 2.316 HE1 :: 1.916 HE2 :: 1.916 HE3 :: 1.916 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 :: 119.313 Ave N Shift Values>> N :: 120.09(3.57) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> C :: 180.117 CA :: 52.346 CB :: 19.487 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.965 HA :: 4.272 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.683 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 0.57 C 0.42 C Shift Assignments>> C :: 176.423 CA :: 59.13 CB :: 38.39 CD1 :: 130.342 CE1 :: 130.257 CZ :: 129.917 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 :: 8.095 HA :: 4.041 HB2 :: 2.945 HB3 :: 2.665 HD1 :: 6.589 HD2 :: 6.589 HE1 :: 6.821 HE2 :: 6.821 HZ :: 6.706 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 :: 119.313 Ave N Shift Values>> N :: 120.45(4.18) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.18 E 0.06 M 0.05 F 0.04 D 0.04 C Shift Assignments>> C :: 175.337 CA :: 52.961 CB :: 37.174 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 :: 7.823 HA :: 4.636 HB2 :: 2.843 HB3 :: 2.715 HD21 :: 7.427 HD22 :: 6.654 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 :: 112.313 ND2 :: 110.405 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 C Shift Assignments>> C :: 173.759 CA :: 44.464 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.579 HA2 :: 4.344 HA3 :: 3.835 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.742 Ave N Shift Values>> N :: 109.67(3.87) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 E 0.14 R 0.13 H 0.12 Q 0.08 K 0.06 M 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 174.039 CA :: 58.433 CB :: 30.681 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.198 HA :: 4.571 HB2 :: 2.788 HB3 :: 2.788 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 :: 117.05 Ave N Shift Values>> N :: 120.17(4.64) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 K 0.13 Q 0.13 W 0.12 R 0.11 E 0.1 H 0.09 I 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 173.736 CA :: 57.999 CB :: 28.205 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.466 HA :: 4.011 HB2 :: 3.332 HB3 :: 1.825 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 :: 123.923 Ave N Shift Values>> N :: 120.17(4.64) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 65.426 CB :: 32.801 CG :: 28.821 CD :: 50.384 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 :: 4.029 HB2 :: 2.266 HB3 :: 2.266 HG2 :: 1.835 HG3 :: 1.835 HD2 :: 3.867 HD3 :: 3.268 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.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.18 R 0.18 K 0.16 F 0.07 C 0.04 N 0.01 G 0.01 HN Overlap>> 1.H42 1.H42 C Shift Assignments>> C :: 176.501 CA :: 55.017 CB :: 42.522 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 :: 8.395 HA :: 4.505 HB2 :: 2.586 HB3 :: 2.275 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 :: 117.053 Ave N Shift Values>> N :: 120.65(3.86) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 C 0.23 P 0.2 W 0.08 R 0.03 K 0.03 E 0.03 I 0.02 H 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 175.214 CA :: 61.633 CB :: 31.542 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.246 HA :: 4.293 HB2 :: 3.018 HB3 :: 2.553 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 :: 123.353 Ave N Shift Values>> N :: 120.17(4.64) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.44 R 0.06 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 177.106 CA :: 56.921 CB :: 34.615 CG :: 24.806 CD :: 28.892 CE :: 41.813 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 :: 8.173 HA :: 4.23 HB2 :: 1.773 HB3 :: 1.603 HG2 :: 1.239 HG3 :: 1.239 HD2 :: 1.505 HD3 :: 1.505 HE2 :: 2.848 HE3 :: 2.848 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 :: 117.539 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.027 CA :: 59.934 CB :: 33.507 CG1 :: 21.04 CG2 :: 20.595 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 :: 7.787 HA :: 4.429 HB :: 2.014 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.661 Ave N Shift Values>> N :: 121.14(4.54) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.279 CB :: 32.077 CG :: 27.141 CD :: 51.044 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 :: 4.336 HB2 :: 1.835 HB3 :: 2.114 HG2 :: 1.935 HG3 :: 1.935 HD2 :: 3.681 HD3 :: 3.611 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.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 175.169 CA :: 45.042 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.569 HA2 :: 4.244 HA3 :: 3.542 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.926 Ave N Shift Values>> N :: 109.67(3.87) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 L 0.22 D 0.21 K 0.14 C 0.09 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 176.602 CA :: 56.402 CB :: 40.912 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 :: 8.214 HA :: 4.231 HB2 :: 2.631 HB3 :: 2.498 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 :: 122.592 Ave N Shift Values>> N :: 120.65(3.86) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.16 F 0.13 C 0.06 N 0.06 R 0.02 HN Overlap>> 1.K24 1.K24 C Shift Assignments>> C :: 175.505 CA :: 55.266 CB :: 41.225 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 :: 8.271 HA :: 4.447 HB2 :: 2.721 HB3 :: 2.497 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 :: 117.5 Ave N Shift Values>> N :: 120.65(3.86) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.14 Q 0.13 E 0.13 C 0.13 H 0.12 R 0.1 I 0.03 M 0.02 C Shift Assignments>> C :: 171.755 CA :: 57.676 CB :: 29.154 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.912 HA :: 4.39 HB2 :: 2.993 HB3 :: 2.934 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 :: 124.47 Ave N Shift Values>> N :: 120.17(4.64) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> CA :: 62.875 CB :: 33.984 CG :: 26.639 CD :: 49.586 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 :: 4.687 HB2 :: 1.992 HB3 :: 2.255 HG2 :: 1.93 HG3 :: 1.65 HD2 :: 3.248 HD3 :: 3.159 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.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.18 A 0.09 G 0.08 R 0.03 C Shift Assignments>> C :: 176.3 CA :: 53.921 CB :: 43.336 CG :: 26.956 CD1 :: 24.935 CD2 :: 22.606 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 :: 8.58 HA :: 4.716 HB2 :: 1.378 HB3 :: 0.421 HG :: 1.621 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 HD21 :: 0.566 HD22 :: 0.566 HD23 :: 0.566 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 :: 120.023 Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 171.374 CA :: 60.449 CB :: 36.448 CG1 :: 21.919 CG2 :: 21.745 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 :: 8.594 HA :: 4.663 HB :: 2.201 HG11 :: 1.272 HG12 :: 1.272 HG13 :: 1.272 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 116.217 Ave N Shift Values>> N :: 121.14(4.54) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.38 C Shift Assignments>> C :: 176.77 CA :: 57.267 CB :: 33.78 CD1 :: 126.649 CE3 :: 119.436 CZ2 :: 115.258 CZ3 :: 121.117 CH2 :: 124.704 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 :: 8.756 HA :: 5.339 HB2 :: 2.959 HB3 :: 2.9 HD1 :: 6.89 HE1 :: 9.929 HE3 :: 7.175 HZ2 :: 7.084 HZ3 :: 7.441 HH2 :: 6.893 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 :: 122.711 NE1 :: 129.149 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.29 R 0.25 C 0.04 F 0.04 D 0.04 C Shift Assignments>> C :: 177.397 CA :: 44.07 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.857 HA2 :: 4.008 HA3 :: 2.905 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.569 Ave N Shift Values>> N :: 109.67(3.87) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.25 K 0.18 R 0.1 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 176.445 CA :: 58.429 CB :: 27.631 CG :: 33.912 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 :: 8.338 HA :: 3.746 HB2 :: 1.865 HB3 :: 1.621 HG2 :: 2.119 HG3 :: 2.071 HE21 :: 7.132 HE22 :: 6.805 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 :: 122.723 NE2 :: 110.613 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 R 0.13 E 0.12 H 0.11 K 0.09 M 0.08 Q 0.06 V 0.04 I 0.01 C Shift Assignments>> C :: 175.281 CA :: 58.395 CB :: 31.143 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.622 HA :: 4.284 HB2 :: 3.192 HB3 :: 2.502 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 :: 115.763 Ave N Shift Values>> N :: 120.17(4.64) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 I 0.28 P 0.17 C 0.08 F 0.03 S 0.03 W 0.02 C Shift Assignments>> C :: 173.389 CA :: 62.285 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.716 HA :: 4.004 HB2 :: 3.834 HB3 :: 3.834 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.54 Ave N Shift Values>> N :: 116.28(3.52) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 W 0.37 H 0.19 C Shift Assignments>> C :: 172.326 CA :: 61.32 CB :: 31.523 CD2 :: 119.367 CE1 :: 138.078 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.829 HA :: 4.444 HB2 :: 3.216 HB3 :: 2.735 HD2 :: 7.18 HE1 :: 7.688 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.947 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 171.9 CA :: 55.791 CB :: 28.964 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.049 HA :: 4.609 HB2 :: 1.478(S) HB3 :: 1.309(S) 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 :: 121.859 Ave N Shift Values>> N :: 120.17(4.64) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.08 F 0.02 C Shift Assignments>> C :: 176.613 CA :: 56.033 CB :: 45.76 CD1 :: 133.004 CE1 :: 133.147 CZ :: 129.172 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 :: 8.368 HA :: 5.177 HB2 :: 3.272 HB3 :: 1.933 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 7.115 HE2 :: 7.115 HZ :: 6.911 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 :: 120.69 Ave N Shift Values>> N :: 120.45(4.18) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.33 H 0.25 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 177.464 CA :: 60.425 CB :: 29.74 CD2 :: 120.581 CE1 :: 138.302 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.384 HA :: 4.669 HB2 :: 4.11 HB3 :: 3.611 HD2 :: 7.302 HE1 :: 6.908 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.057 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 C Shift Assignments>> C :: 177.845 CA :: 59.209 CB :: 33.009 CG :: 31.839 CE :: 17.94 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 :: 9.439 HA :: 3.965 HB2 :: 1.801 HB3 :: 1.674 HG2 :: 2.398 HG3 :: 2.297 HE1 :: 1.926 HE2 :: 1.926 HE3 :: 1.926 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 :: 128.543 Ave N Shift Values>> N :: 120.09(3.57) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 W 0.19 H 0.14 C Shift Assignments>> C :: 178.405 CA :: 58.793 CB :: 32.747 CD2 :: 116.134 CE1 :: 140.435 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.747 HA :: 4.256 HB2 :: 3.434 HB3 :: 3.265 HD2 :: 6.774 HE1 :: 8.246 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.21 P 0.13 V 0.08 W 0.07 K 0.01 E 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 177.957 CA :: 62.923 CB :: 29.102 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.845 HA :: 4 HB2 :: 3.117 HB3 :: 2.808 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 :: 115.95 Ave N Shift Values>> N :: 120.17(4.64) 1.I46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 I 0.38 C Shift Assignments>> C :: 176.613 CA :: 60.242 CB :: 37.319 CG1 :: 29.057 CG2 :: 19.82 CD1 :: 12.194 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 :: 7.816 HA :: 3.665 HB :: 1.027 HG12 :: 0.26 HG13 :: -0.178(S) HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: -0.813(S) HD12 :: -0.813(S) HD13 :: -0.813(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 121.46(4.28) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.31 C Shift Assignments>> C :: 179.726 CA :: 58.633 CB :: 41.123 CG :: 25.76 CD1 :: 22.42 CD2 :: 25.888 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 :: 8.266 HA :: 3.873 HB2 :: 1.785 HB3 :: 1.274 HG :: 1.534 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 121.86(3.9) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.38 R 0.11 C Shift Assignments>> C :: 179.423 CA :: 59.987 CB :: 32.765 CG :: 25.816 CD :: 29.744 CE :: 41.829 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 :: 7.147 HA :: 3.864 HB2 :: 1.882 HB3 :: 1.847 HG2 :: 1.306 HG3 :: 1.306 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.826 HE3 :: 2.826 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 :: 118.251 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 178.147 CA :: 60.545 CB :: 29.415 CD1 :: 126.092 CE3 :: 123.186 CZ2 :: 114.267 CZ3 :: 122.625 CH2 :: 124.77 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 :: 7.709 HA :: 4.08 HB2 :: 3.026 HB3 :: 3.026 HD1 :: 6.41 HE1 :: 9.761 HE3 :: 7.337 HZ2 :: 7.083 HZ3 :: 6.956 HH2 :: 7.003 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 :: 120.745 NE1 :: 128.685 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.28 A 0.04 R 0.02 C Shift Assignments>> C :: 179.658 CA :: 57.33 CB :: 41.416 CG :: 26.101 CD1 :: 21.569 CD2 :: 26.101 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 :: 8.512 HA :: 3.605 HB2 :: 1.55 HB3 :: 1.263 HG :: 1.531 HD11 :: 0.422 HD12 :: 0.422 HD13 :: 0.422 HD21 :: 0.328 HD22 :: 0.328 HD23 :: 0.328 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 :: 117.236 Ave N Shift Values>> N :: 121.86(3.9) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.34 C 0.29 C Shift Assignments>> C :: 175.942 CA :: 57.32 CB :: 29.487 CD2 :: 120.258 CE1 :: 137.361 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.713 HA :: 4.274 HB2 :: 3.056 HB3 :: 3.056 HD2 :: 7.298 HE1 :: 7.96 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.65 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 177.834 CA :: 52.865 CB :: 18.951 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.191 HA :: 4.023 HB1 :: 1.168 HB2 :: 1.168 HB3 :: 1.168 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.779 Ave N Shift Values>> N :: 123.23(3.54) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.28 C 0.22 R 0.09 M 0.08 E 0.01 C Shift Assignments>> C :: 175.998 CA :: 55.482 CB :: 28.887 CG :: 32.998 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 :: 7.317 HA :: 3.933 HB2 :: 1.563 HB3 :: 1.563 HG2 :: 1.714 HG3 :: 1.57 HE21 :: 6.423 HE22 :: 5.681 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 :: 117.047 NE2 :: 110.677 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 E 0.1 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 176.3 CA :: 57.314 CB :: 28.823 CG :: 34.12 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 :: 7.949 HA :: 3.989 HB2 :: 1.951 HB3 :: 1.813 HG2 :: 2.135 HG3 :: 2.135 HE21 :: 7.248 HE22 :: 6.579 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 :: 118.463 NE2 :: 111.975 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.27 C Shift Assignments>> C :: 175.774 CA :: 63.21 CB :: 32.87 CG1 :: 20.375 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 :: 7.801 HA :: 3.884 HB :: 1.997 HG11 :: 0.739 HG12 :: 0.739 HG13 :: 0.739 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 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 :: 116.755 Ave N Shift Values>> N :: 121.14(4.54) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.23 E 0.09 M 0.05 R 0.02 C Shift Assignments>> C :: 175.236 CA :: 55.697 CB :: 29.319 CG :: 34.051 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 :: 8.018 HA :: 4.117 HB2 :: 1.674 HB3 :: 1.674 HG2 :: 2.036 HG3 :: 2.036 HE21 :: 7.335 HE22 :: 6.592 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 :: 120.192 NE2 :: 111.493 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.23 E 0.07 M 0.04 R 0.03 C Shift Assignments>> C :: 175.819 CA :: 55.617 CB :: 29.094 CG :: 33.956 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 :: 8.471 HA :: 4.204 HB2 :: 2.011 HB3 :: 1.837 HG2 :: 2.23 HG3 :: 2.148 HE21 :: 7.221 HE22 :: 6.701 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 :: 121.276 NE2 :: 111.982 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.35 W 0.24 C Shift Assignments>> C :: 173.636 CA :: 54.353 CB :: 33.057 CD2 :: 119.084 CE1 :: 138.302 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.366 HA :: 5.174 HB2 :: 2.776 HB3 :: 2.776 HD2 :: 7.174 HE1 :: 7.71 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.001 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 M 0.17 C 0.16 Q 0.11 R 0.1 H 0.09 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 176.334 CA :: 56.772 CB :: 32.642 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.035 HA :: 4.442 HB2 :: 3.349 HB3 :: 3.349 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 :: 121.924 Ave N Shift Values>> N :: 120.17(4.64) 1.P60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 64.661 CB :: 30.659 CG :: 25.793 CD :: 50.062 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 :: 3.813 HB2 :: 0.237(S) HB3 :: 0.93 HG2 :: 0.531(S) HG3 :: -0.366(S) HD2 :: 3.332 HD3 :: 2.539 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.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.42 A 0.07 C Shift Assignments>> C :: 177.117 CA :: 56.408 CB :: 32.551 CG :: 32.314 CE :: 17.018 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 :: 9.135 HA :: 4.317 HB2 :: 1.348 HB3 :: 1.09 HG2 :: 2.271 HG3 :: 2.143 HE1 :: 1.808 HE2 :: 1.808 HE3 :: 1.808 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 :: 117.676 Ave N Shift Values>> N :: 120.09(3.57) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.17 M 0.13 Q 0.1 R 0.09 W 0.08 H 0.07 V 0.07 E 0.05 C Shift Assignments>> C :: 175.74 CA :: 58.273 CB :: 32.776 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.011 HA :: 4.874 HB2 :: 3.368 HB3 :: 2.777 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 :: 117.214 Ave N Shift Values>> N :: 120.17(4.64) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.21 L 0.19 K 0.08 G 0.05 C Shift Assignments>> C :: 175.326 CA :: 58.073 CB :: 27.136 CG :: 27.897 CD :: 43.035 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 :: 8.086 HA :: 3.925 HB2 :: 1.943 HB3 :: 1.801 HG2 :: 1.296 HG3 :: 1.296 HD2 :: 2.957 HD3 :: 2.957 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.555 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.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.26 Q 0.17 K 0.12 M 0.1 I 0.01 C Shift Assignments>> C :: 176.054 CA :: 56.316 CB :: 30.083 CG :: 35.392 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 :: 8.003 HA :: 4.259 HB2 :: 2.056 HB3 :: 1.953 HG2 :: 2.533 HG3 :: 2.341 HE21 :: 7.611 HE22 :: 6.839 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 :: 118.932 NE2 :: 112.76 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 K 0.07 I 0.06 M 0.05 Q 0.04 C Shift Assignments>> C :: 176.781 CA :: 57.682 CB :: 29.9 CG :: 36.401 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 :: 8.657 HA :: 4.003 HB2 :: 1.881 HB3 :: 1.81 HG2 :: 2.263 HG3 :: 2.263 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 :: 122.038 Ave N Shift Values>> N :: 120.67(3.48) 1.W66 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 175.46 CA :: 57.625 CB :: 29.358 CD1 :: 126.493 CE3 :: 119.966 CZ2 :: 112.825 CZ3 :: 119.921 CH2 :: 124.707 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 :: 8.499 HA :: 4.404 HB2 :: 2.681 HB3 :: 2.548 HD1 :: 6.441 HE1 :: 5.827(S) HE3 :: 7.206 HZ2 :: 6.695 HZ3 :: 6.95 HH2 :: 7.08 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 :: 125.73 NE1 :: 122.571 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.3 R 0.25 G 0.03 C Shift Assignments>> C :: 175.18 CA :: 54.514 CB :: 36.231 CG :: 25.134 CD :: 29.302 CE :: 42.499 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 :: 6.93 HA :: 4.018 HB2 :: 1.402 HB3 :: 1.104 HG2 :: 1.128 HG3 :: 1.128 HD2 :: 1.445 HD3 :: 1.445 HE2 :: 2.76 HE3 :: 2.76 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 :: 127.396 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.613 CA :: 59.961 CB :: 39.262 CD1 :: 133.212 CE1 :: 131.54 CZ :: 130.044 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 :: 8.43 HA :: 4.108 HB2 :: 3.184 HB3 :: 2.798 HD1 :: 7.618 HD2 :: 7.618 HE1 :: 7.489 HE2 :: 7.489 HZ :: 7.148 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.511 Ave N Shift Values>> N :: 120.45(4.18) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 175.651 CA :: 57.32 CB :: 33.361 CG :: 25.113 CD :: 29.314 CE :: 41.978 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 :: 8.738 HA :: 3.995 HB2 :: 1.645 HB3 :: 1.239 HG2 :: 1.287 HG3 :: 1.224 HD2 :: 1.438 HD3 :: 1.438 HE2 :: 2.688 HE3 :: 2.688 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.21 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.37 M 0.11 I 0.03 Q 0.01 K 0.01 C Shift Assignments>> C :: 181.125 CA :: 58.093 CB :: 31.183 CG :: 36.828 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 :: 8.124 HA :: 4.031 HB2 :: 1.916 HB3 :: 1.737 HG2 :: 2.067 HG3 :: 2.067 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 :: 130.135 Ave N Shift Values>> N :: 120.67(3.48) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 66 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 69 #Suspicious: 1 C Shift Results: #Consistent: 292 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 459 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 76 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C40 HB2 = 1.478(S), Expected = 2.96, Std = 0.4400, ChiSquare = 7.5666e-04 1.C40 HB3 = 1.309(S), Expected = 2.89, Std = 0.4600, ChiSquare = 5.8829e-04 1.I46 HG13 = -0.178(S), Expected = 1.19, Std = 0.4100, ChiSquare = 8.4814e-04 1.I46 HD11 = -0.813(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6289e-07 1.I46 HD12 = -0.813(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6289e-07 1.I46 HD13 = -0.813(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6289e-07 1.P60 HB2 = 0.237(S), Expected = 2.08, Std = 0.3500, ChiSquare = 1.3965e-07 1.P60 HG2 = 0.531(S), Expected = 1.93, Std = 0.3100, ChiSquare = 6.3946e-06 1.P60 HG3 = -0.366(S), Expected = 1.90, Std = 0.3300, ChiSquare = 6.5719e-12 1.W66 HE1 = 5.827(S), Expected = 10.08, Std = 0.6600, ChiSquare = 1.1641e-10 1.W66 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W66 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488