Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.038 CA :: 58.773 CB :: 63.894 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.466 HB2 :: 3.894 HB3 :: 3.894 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.012 CA :: 45.364 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.365 HA2 :: 3.952 HA3 :: 3.952 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.582 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.07 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.604 CA :: 56.541 CB :: 30.349 CG :: 36.187 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.203 HA :: 4.284 HB2 :: 2.011 HB3 :: 1.901 HG2 :: 2.216 HG3 :: 2.216 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.674 Ave N Shift Values>> N :: 120.68(3.68) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.321 CA :: 61.141 CB :: 38.688 CG1 :: 27.210 CG2 :: 17.568 CD1 :: 12.932 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.213 HA :: 4.181 HB :: 1.853 HG12 :: 1.430 HG13 :: 1.156 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.818 Ave N Shift Values>> N :: 121.6(4.72) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.933 CA :: 58.445 CB :: 63.894 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.349 HA :: 4.414 HB2 :: 3.820 HB3 :: 3.820 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.773 Ave N Shift Values>> N :: 116.3(3.95) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.954 CA :: 45.192 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.315 HA2 :: 3.873 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.779 Ave N Shift Values>> N :: 109.91(4.29) 1.F12 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 :: 176.454 CA :: 58.033 CB :: 39.516 CD1 :: 131.720 CD2 :: 131.720 CE1 :: 131.725 CE2 :: 131.725 CZ :: 129.822 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.124 HA :: 4.583 HB2 :: 3.147 HB3 :: 2.977 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 7.310 HE2 :: 7.310 HZ :: 7.270 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.875 Ave N Shift Values>> N :: 120.69(4.18) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.918 CA :: 45.388 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.363 HA2 :: 3.849 HA3 :: 3.877 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.283 Ave N Shift Values>> N :: 109.91(4.29) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 E 0.13 M 0.1 R 0.03 C Shift Assignments>> C :: 175.626 CA :: 55.874 CB :: 29.688 CG :: 33.953 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.182 HA :: 4.367 HB2 :: 2.115 HB3 :: 1.961 HG2 :: 2.324 HG3 :: 2.324 HE21 :: 7.508 HE22 :: 6.843 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.372 NE2 :: 112.203 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 K 0.15 C 0.14 E 0.13 Q 0.13 R 0.11 I 0.09 L 0.02 M 0.02 V 0.01 C Shift Assignments>> CA :: 58.478 CB :: 28.759 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.320 HA :: 4.511 HB2 :: 2.862 HB3 :: 2.862 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.555 Ave N Shift Values>> N :: 119.95(4.79) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.23 G 0.09 R 0.07 A 0.01 C Shift Assignments>> CA :: 54.499 CB :: 43.352 CG :: 26.903 CD1 :: 25.285 CD2 :: 23.987 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.484 HA :: 4.485 HB2 :: 1.589 HB3 :: 1.183 HG :: 1.394 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.453 Ave N Shift Values>> N :: 121.98(4.07) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> CA :: 61.646 CB :: 33.822 CG1 :: 21.780 CG2 :: 21.717 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.395 HA :: 4.745 HB :: 1.864 HG11 :: 0.816 HG12 :: 0.816 HG13 :: 0.816 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.788 Ave N Shift Values>> N :: 121.02(4.96) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 175.333 CA :: 55.113 CB :: 32.452 CD1 :: 126.617 CE3 :: 120.124 CZ2 :: 113.957 CZ3 :: 122.019 CH2 :: 124.545 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.728 HA :: 5.306 HB2 :: 3.135 HB3 :: 2.718 HD1 :: 6.830 HE1 :: 9.425 HE3 :: 7.143 HZ2 :: 6.988 HZ3 :: 6.852 HH2 :: 6.839 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.973 NE1 :: 129.992 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.76 V 0.22 I 0.01 C Shift Assignments>> C :: 171.836 CA :: 59.771 CB :: 35.097 CG1 :: 20.479 CG2 :: 18.347 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.351 HA :: 4.889 HB :: 1.118 HG11 :: 0.134 HG12 :: 0.134 HG13 :: 0.134 HG21 :: -0.279(S) HG22 :: -0.279(S) HG23 :: -0.279(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.430 Ave N Shift Values>> N :: 121.02(4.96) 1.Q20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.27 C 0.26 Q 0.22 R 0.12 M 0.08 E 0.02 C Shift Assignments>> C :: 175.521 CA :: 53.539 CB :: 28.705 CG :: 32.792 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.857 HA :: 4.190 HB2 :: 1.119(S) HB3 :: -0.883(A) HG2 :: 1.619 HG3 :: 0.616(S) HE21 :: 7.185 HE22 :: 6.563 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.517 NE2 :: 110.869 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.26 C 0.15 W 0.05 I 0.04 K 0.02 R 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 177.190 CA :: 62.046 CB :: 32.449 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.965 HA :: 4.300 HB2 :: 3.623 HB3 :: 3.015 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.879 Ave N Shift Values>> N :: 119.95(4.79) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.653 CA :: 60.277 CB :: 64.825 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.808 HA :: 4.203 HB2 :: 4.049 HB3 :: 3.925 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.787 Ave N Shift Values>> N :: 116.3(3.95) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 C Shift Assignments>> C :: 177.419 CA :: 56.362 CB :: 36.596 CD1 :: 131.418 CD2 :: 131.418 CE1 :: 131.042 CE2 :: 131.042 CZ :: 129.869 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.953 HA :: 4.933 HB2 :: 3.422 HB3 :: 3.330 HD1 :: 7.351 HD2 :: 7.351 HE1 :: 7.293 HE2 :: 7.293 HZ :: 7.287 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.430 Ave N Shift Values>> N :: 120.69(4.18) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 177.435 CA :: 64.780 CB :: 31.845 CG :: 27.512 CD :: 51.302 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.289 HB2 :: 2.350 HB3 :: 1.950 HG2 :: 2.096 HG3 :: 2.058 HD2 :: 3.835 HD3 :: 4.162 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.23 Y 0.07 D 0.07 E 0.05 F 0.04 M 0.03 C Shift Assignments>> C :: 173.836 CA :: 53.113 CB :: 37.468 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.302 HA :: 4.667 HB2 :: 2.892 HB3 :: 2.819 HD21 :: 7.540 HD22 :: 6.850 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.955 ND2 :: 112.733 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 C 0.2 W 0.13 K 0.09 R 0.08 E 0.07 M 0.06 P 0.04 I 0.04 Q 0.02 C Shift Assignments>> C :: 176.234 CA :: 60.169 CB :: 32.108 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.984 HA :: 4.707 HB2 :: 2.778 HB3 :: 3.268 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.474 Ave N Shift Values>> N :: 119.95(4.79) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.507 CA :: 46.603 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.275 HA2 :: 4.166 HA3 :: 3.913 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.179 Ave N Shift Values>> N :: 109.91(4.29) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.08 G 0.04 M 0.01 C Shift Assignments>> C :: 175.980 CA :: 58.204 CB :: 34.412 CG :: 27.301 CD :: 30.526 CE :: 43.007 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.799 HA :: 4.334 HB2 :: 1.594 HB3 :: 1.562 HG2 :: 2.085 HG3 :: 1.385 HD2 :: 1.795 HD3 :: 1.795 HE2 :: 3.264 HE3 :: 3.033 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.383 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 C Shift Assignments>> C :: 176.891 CA :: 56.831 CB :: 30.054 CD1 :: 128.620 CE3 :: 119.183 CZ2 :: 115.048 CZ3 :: 122.448 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.598 HA :: 4.944 HB2 :: 3.028 HB3 :: 2.891 HD1 :: 7.530 HE1 :: 10.122 HE3 :: 7.096 HZ2 :: 7.233 HZ3 :: 6.759 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.838 NE1 :: 129.941 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.33 R 0.13 K 0.01 C Shift Assignments>> C :: 173.678 CA :: 52.747 CB :: 32.746 CG :: 26.095 CD :: 44.552 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.902 HA :: 4.627 HB2 :: 2.093 HB3 :: 1.822 HG2 :: 2.247 HG3 :: 2.156 HD2 :: 3.676 HD3 :: 3.156 HE :: 8.614 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.121 NE :: 86.549 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.11 G 0.08 L 0.02 C Shift Assignments>> C :: 176.081 CA :: 56.023 CB :: 30.422 CG :: 26.186 CD :: 43.432 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.369 HA :: 3.453 HB2 :: 1.062 HB3 :: 0.264(S) HG2 :: 0.646(S) HG3 :: 0.373(S) HD2 :: 2.768 HD3 :: 2.560 HE :: 7.602 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.688 NE :: 84.002 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.21 R 0.06 G 0.04 A 0.02 C Shift Assignments>> C :: 176.287 CA :: 53.782 CB :: 42.701 CG :: 26.951 CD1 :: 25.198 CD2 :: 23.498 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.587 HA :: 4.520 HB2 :: 1.400 HB3 :: 1.347 HG :: 1.388 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 HD21 :: 0.610 HD22 :: 0.610 HD23 :: 0.610 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.427 Ave N Shift Values>> N :: 121.98(4.07) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 W 0.15 Q 0.14 E 0.14 C 0.13 R 0.11 I 0.08 L 0.02 M 0.02 C Shift Assignments>> C :: 174.715 CA :: 58.306 CB :: 28.754 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.401 HA :: 4.505 HB2 :: 2.865 HB3 :: 2.865 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.761 Ave N Shift Values>> N :: 119.95(4.79) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.405 CA :: 45.385 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.424 HA2 :: 3.998 HA3 :: 3.859 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.903 Ave N Shift Values>> N :: 109.91(4.29) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.21 D 0.08 Y 0.07 F 0.05 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.639 CA :: 53.048 CB :: 37.694 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.342 HA :: 4.663 HB2 :: 2.779 HB3 :: 2.779 HD21 :: 7.538 HD22 :: 6.796 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.289 ND2 :: 112.136 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.502 CA :: 59.759 CB :: 39.373 CG1 :: 27.284 CG2 :: 17.525 CD1 :: 12.745 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.471 HA :: 4.097 HB :: 1.746 HG12 :: 1.307 HG13 :: 1.102 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.826 Ave N Shift Values>> N :: 121.6(4.72) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 C 0.16 L 0.16 N 0.15 K 0.04 R 0.04 G 0.04 F 0.02 Y 0.02 C Shift Assignments>> CA :: 50.542 CB :: 41.909 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.238 HA :: 4.844 HB2 :: 2.839 HB3 :: 2.570 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.332 Ave N Shift Values>> N :: 120.73(4.2) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.652 CA :: 64.084 CB :: 31.985 CG :: 27.360 CD :: 50.775 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.032 HB2 :: 2.063 HB3 :: 1.992 HG2 :: 2.050 HG3 :: 1.838 HD2 :: 3.986 HD3 :: 3.883 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.666 CA :: 60.889 CB :: 63.322 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.485 HA :: 4.248 HB2 :: 3.938 HB3 :: 3.901 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.797 Ave N Shift Values>> N :: 116.3(3.95) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 176.227 CA :: 61.031 CB :: 31.572 CG1 :: 21.120 CG2 :: 19.164 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.466 HA :: 4.418 HB :: 2.380 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.868 Ave N Shift Values>> N :: 121.02(4.96) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 A 0.11 R 0.03 C Shift Assignments>> C :: 174.966 CA :: 53.094 CB :: 41.358 CG :: 26.867 CD1 :: 22.777 CD2 :: 25.769 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.246 HA :: 4.509 HB2 :: 1.688 HB3 :: 1.259 HG :: 1.635 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.568 HD22 :: 0.568 HD23 :: 0.568 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.820 Ave N Shift Values>> N :: 121.98(4.07) 1.P42 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>> C :: 176.962 CA :: 62.463 CB :: 32.563 CG :: 27.530 CD :: 50.717 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.567 HB2 :: 2.413 HB3 :: 2.148 HG2 :: 2.267 HG3 :: 2.102 HD2 :: 4.032 HD3 :: 3.764 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.16 L 0.15 Y 0.15 C 0.14 K 0.13 N 0.03 I 0.02 R 0.02 C Shift Assignments>> C :: 176.219 CA :: 56.367 CB :: 40.740 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.719 HA :: 4.360 HB2 :: 2.655 HB3 :: 2.655 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.533 Ave N Shift Values>> N :: 120.73(4.2) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.24 Y 0.05 D 0.05 E 0.04 M 0.03 F 0.03 C Shift Assignments>> C :: 174.639 CA :: 52.285 CB :: 37.209 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.158 HA :: 4.788 HB2 :: 2.881 HB3 :: 2.666 HD21 :: 7.529 HD22 :: 6.760 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.106 ND2 :: 111.774 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.33 C Shift Assignments>> C :: 174.906 CA :: 61.794 CB :: 29.552 CD1 :: 126.037 CE3 :: 121.104 CZ2 :: 113.208 CZ3 :: 120.673 CH2 :: 122.998 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.547 HA :: 3.818 HB2 :: 3.116 HB3 :: 3.059 HD1 :: 7.085 HE1 :: 10.253 HE3 :: 7.041 HZ2 :: 6.841 HZ3 :: 6.618 HH2 :: 6.780 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.252 NE1 :: 129.034 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 173.777 CA :: 56.319 CB :: 66.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 5.997(S) HA :: 5.453 HB2 :: 3.544 HB3 :: 2.998 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.537 Ave N Shift Values>> N :: 116.3(3.95) 1.C47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 I 0.23 P 0.23 C 0.05 C Shift Assignments>> C :: 176.225 CA :: 66.403(A) CB :: 30.397 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.573 HA :: 3.386 HB2 :: 2.986 HB3 :: 2.670 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.597 Ave N Shift Values>> N :: 119.95(4.79) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.2 C 0.15 Y 0.12 F 0.12 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 177.073 CA :: 54.650 CB :: 39.665 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.035 HA :: 4.571 HB2 :: 2.646 HB3 :: 2.571 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.422 Ave N Shift Values>> N :: 120.73(4.2) 1.Q49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.23 E 0.15 M 0.04 R 0.03 C Shift Assignments>> C :: 177.084 CA :: 55.226 CB :: 28.895 CG :: 34.457 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.809 HA :: 4.109 HB2 :: 2.093 HB3 :: 0.978(S) HG2 :: 1.969 HG3 :: 1.969 HE21 :: 7.319 HE22 :: 6.325 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.408 NE2 :: 112.714 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.18 C 0.16 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 176.183 CA :: 53.700 CB :: 38.791 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.016 HA :: 4.764 HB2 :: 2.958 HB3 :: 3.419 HD21 :: 8.295 HD22 :: 7.670 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.575 ND2 :: 111.557 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T51 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 :: 175.055 CA :: 62.902 CB :: 68.682 CG2 :: 22.328 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.391 HA :: 4.172 HB :: 4.447 HG21 :: 1.376 HG22 :: 1.376 HG23 :: 1.376 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.169 Ave N Shift Values>> N :: 115.7(5.05) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.2 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 176.953 CA :: 52.834 CB :: 40.913 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.377 HA :: 4.655 HB2 :: 2.735 HB3 :: 3.075 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.806 Ave N Shift Values>> N :: 120.73(4.2) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.893 CA :: 63.098 CB :: 30.938 CG1 :: 21.128 CG2 :: 18.911 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.920 HA :: 3.876 HB :: 2.313 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.464 Ave N Shift Values>> N :: 121.02(4.96) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.23 Q 0.2 K 0.16 M 0.1 I 0.01 R 0.01 C Shift Assignments>> C :: 175.957 CA :: 56.847 CB :: 29.885 CG :: 34.834 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.085 HA :: 3.953 HB2 :: 1.593 HB3 :: 1.955 HG2 :: 2.269 HG3 :: 1.992 HE21 :: 7.647 HE22 :: 6.799 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.907 NE2 :: 111.933 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.703 CA :: 56.720 CB :: 40.323 CD1 :: 134.019 CD2 :: 134.019 CE1 :: 118.005 CE2 :: 118.005 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.329 HA :: 4.805 HB2 :: 3.439 HB3 :: 2.393 HD1 :: 7.205 HD2 :: 7.205 HE1 :: 6.838 HE2 :: 6.838 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.957 Ave N Shift Values>> N :: 120.79(4.69) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.18 D 0.11 Y 0.06 F 0.04 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 174.239 CA :: 52.381 CB :: 38.060 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.132 HA :: 5.317 HB2 :: 2.643 HB3 :: 3.159 HD21 :: 7.594 HD22 :: 6.519 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.696 ND2 :: 107.124 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 G 0.22 K 0.05 R 0.01 C Shift Assignments>> C :: 177.299 CA :: 54.559 CB :: 36.527(S) CG :: 27.340 CD :: 43.548 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.853 HA :: 4.664 HB2 :: 1.627 HB3 :: 1.955 HG2 :: 1.578 HG3 :: 1.578 HD2 :: 3.280 HD3 :: 3.184 HE :: 8.369 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 112.729 NE :: 85.117 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.28 V 0.23 I 0.2 C 0.12 W 0.08 R 0.02 E 0.02 C Shift Assignments>> C :: 175.355 CA :: 62.617 CB :: 30.463 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.507 HA :: 4.934 HB2 :: 2.533 HB3 :: 3.334 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.677 Ave N Shift Values>> N :: 119.95(4.79) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.24 C 0.13 L 0.1 F 0.09 Y 0.08 K 0.02 C Shift Assignments>> C :: 176.828 CA :: 53.815 CB :: 40.015 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.740 HA :: 4.451 HB2 :: 2.528 HB3 :: 2.787 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 110.872 Ave N Shift Values>> N :: 120.73(4.2) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 175.305 CA :: 59.690 CB :: 39.452 CG1 :: 28.770 CG2 :: 17.112 CD1 :: 13.872 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.304 HA :: 4.348 HB :: 1.919 HG12 :: 1.650 HG13 :: 1.097 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.148 Ave N Shift Values>> N :: 121.6(4.72) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.531 CA :: 63.551 CB :: 32.614 CG :: 27.623 CD :: 51.715 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.315 HB2 :: 1.987 HB3 :: 2.453 HG2 :: 2.174 HG3 :: 2.049 HD2 :: 4.193 HD3 :: 3.749 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.24 M 0.08 I 0.06 C Shift Assignments>> C :: 177.030 CA :: 57.236 CB :: 32.081 CG :: 38.020 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.787 HA :: 4.159 HB2 :: 2.240 HB3 :: 2.075 HG2 :: 2.854 HG3 :: 2.801 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.148 Ave N Shift Values>> N :: 120.68(3.68) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.13 I 0.04 K 0.04 Q 0.02 C Shift Assignments>> C :: 175.589 CA :: 57.000 CB :: 30.953 CG :: 36.452 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.144 HA :: 4.246 HB2 :: 1.710 HB3 :: 1.948 HG2 :: 2.302 HG3 :: 2.302 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.637 Ave N Shift Values>> N :: 120.68(3.68) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.108 CA :: 62.471 CB :: 69.596 CG2 :: 21.660 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.309 HA :: 4.195 HB :: 4.120 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.905 Ave N Shift Values>> N :: 115.7(5.05) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.218 CA :: 56.707 CB :: 29.872 CD1 :: 127.509 CE3 :: 120.991 CZ2 :: 114.455 CZ3 :: 121.993 CH2 :: 124.548 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.272 HA :: 4.781 HB2 :: 3.044 HB3 :: 3.044 HD1 :: 7.081 HE1 :: 10.083 HE3 :: 7.323 HZ2 :: 7.325 HZ3 :: 6.849 HH2 :: 7.022 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.238 NE1 :: 129.720 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T66 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 :: 174.612 CA :: 61.881 CB :: 69.843 CG2 :: 21.286 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.992 HA :: 4.143 HB :: 4.053 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.292 Ave N Shift Values>> N :: 115.7(5.05) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.600 CA :: 45.279 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.197 HA2 :: 3.800 HA3 :: 3.613 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.668 Ave N Shift Values>> N :: 109.91(4.29) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 R 0.07 G 0.02 A 0.02 C Shift Assignments>> C :: 176.454 CA :: 54.997 CB :: 42.441 CG :: 26.897 CD1 :: 25.065 CD2 :: 23.274 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.893 HA :: 4.320 HB2 :: 1.518 HB3 :: 1.518 HG :: 1.478 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.223 Ave N Shift Values>> N :: 121.98(4.07) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 M 0.1 I 0.08 K 0.02 Q 0.01 C Shift Assignments>> C :: 181.112 CA :: 58.196 CB :: 31.129 CG :: 36.710 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.931 HA :: 4.067 HB2 :: 2.009 HB3 :: 1.872 HG2 :: 2.177 HG3 :: 2.177 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.013 Ave N Shift Values>> N :: 120.68(3.68) 2.M3L4 Overall Status: Residue type M3L not supported. 2.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.230 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.097 HA :: 4.503 HB2 :: 1.777 HB3 :: 1.718 HG2 :: 1.648 HG3 :: 1.653 HD2 :: 3.221 HD3 :: 3.235 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.147 HA :: 5.810 HB :: 4.205 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 2.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.512 HA :: 5.527 HB2 :: 2.039 HB3 :: 1.924 HG2 :: 2.278 HG3 :: 2.278 HE21 :: 7.307 HE22 :: 6.773 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 2.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.901 HA :: 4.530 HB :: 4.278 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 2.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.515 HA :: 4.515 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.515 HA :: 4.330 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 1.691 HG3 :: 1.595 HD2 :: 3.137 HD3 :: 3.137 HE :: 7.174 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 2.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.372 HA :: 4.334 HB2 :: 1.829 HB3 :: 1.829 HG2 :: 1.599 HG3 :: 1.599 HD2 :: 1.692 HD3 :: 1.692 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 2.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.990 HA :: 4.233 HB2 :: 3.826 HB3 :: 3.826 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 5 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 64 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 78 #Suspicious: 0 C Shift Results: #Consistent: 270 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 475 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V19 HG21 = -0.279(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.3123e-04 1.V19 HG22 = -0.279(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.3123e-04 1.V19 HG23 = -0.279(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.3123e-04 1.Q20 HB2 = 1.119(S), Expected = 2.05, Std = 0.2800, ChiSquare = 8.8419e-04 1.Q20 HB3 = -0.883(A), Expected = 2.04, Std = 0.2900, ChiSquare = 6.8203e-24 1.Q20 HG3 = 0.616(S), Expected = 2.32, Std = 0.2900, ChiSquare = 4.2065e-09 1.R31 HB3 = 0.264(S), Expected = 1.78, Std = 0.2800, ChiSquare = 6.1534e-08 1.R31 HG2 = 0.646(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.4166e-04 1.R31 HG3 = 0.373(S), Expected = 1.58, Std = 0.2700, ChiSquare = 7.8084e-06 1.S46 H = 5.997(S), Expected = 8.29, Std = 0.6200, ChiSquare = 2.1697e-04 1.C47 CA = 66.403(A), Expected = 57.43, Std = 3.4100, ChiSquare = 8.5039e-03 1.Q49 HB3 = 0.978(S), Expected = 2.04, Std = 0.2900, ChiSquare = 2.5019e-04 1.R57 CB = 36.527(S), Expected = 30.66, Std = 1.7700, ChiSquare = 9.1745e-04