Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.1 K 0.08 Y 0.08 C 0.06 C Shift Assignments>> C :: 175.687 CA :: 54.368 CB :: 40.938 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>> HA :: 4.554 HB2 :: 2.584 HB3 :: 2.666 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.076 Ave N Shift Values>> N :: 120.65(3.86) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.31 C 0.19 C Shift Assignments>> CA :: 53.242 CB :: 32.569 CG :: 31.986 CE :: 16.920 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 :: 8.112 HA :: 4.800 HB2 :: 1.929 HB3 :: 2.056 HG2 :: 2.534 HG3 :: 2.608 HE1 :: 2.108 HE2 :: 2.108 HE3 :: 2.108 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 :: 121.452 Ave N Shift Values>> N :: 120.09(3.57) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.676 CA :: 62.983 CB :: 32.095 CG :: 27.387 CD :: 50.724 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 :: 4.464 HB2 :: 1.891 HB3 :: 2.278 HG2 :: 2.017 HG3 :: 2.017 HD2 :: 3.667 HD3 :: 3.813 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.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.787 CA :: 62.068 CB :: 33.107 CG1 :: 21.175 CG2 :: 20.707 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 :: 8.238 HA :: 4.059 HB :: 2.017 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 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 :: 120.830 Ave N Shift Values>> N :: 121.14(4.54) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.16 K 0.07 C 0.05 F 0.04 R 0.02 Y 0.02 C Shift Assignments>> CA :: 51.788 CB :: 41.687 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.524 HA :: 4.901 HB2 :: 2.580 HB3 :: 2.857 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 :: 126.146 Ave N Shift Values>> N :: 120.65(3.86) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.862 CA :: 63.693 CB :: 32.175 CG :: 26.962 CD :: 50.988 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 :: 4.421 HB2 :: 1.979 HB3 :: 2.290 HG2 :: 1.971 HG3 :: 2.038 HD2 :: 3.894 HD3 :: 3.894 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.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.21 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.929 CA :: 53.278 CB :: 39.104 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 :: 8.566 HA :: 4.701 HB2 :: 2.736 HB3 :: 2.834 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 :: 117.470 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.29 M 0.12 Q 0.1 K 0.08 C Shift Assignments>> CA :: 54.509 CB :: 30.122 CG :: 35.913 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.831 HA :: 4.553 HB2 :: 1.978 HB3 :: 2.042 HG2 :: 2.342 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.665 Ave N Shift Values>> N :: 120.67(3.48) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 175.330 CA :: 63.089 CB :: 32.170 CG :: 27.551 CD :: 50.946 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 :: 4.304 HB2 :: 1.580 HB3 :: 2.110 HG2 :: 1.989 HG3 :: 2.064 HD2 :: 3.701 HD3 :: 3.835 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.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.27 HN Overlap>> 1.G42 1.G42 C Shift Assignments>> C :: 173.009 CA :: 59.592 CB :: 71.521 CG2 :: 21.823 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.527 HA :: 4.141 HB :: 3.688 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.005 Ave N Shift Values>> N :: 115.42(4.75) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 G 0.3 C 0.22 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> C :: 174.274 CA :: 57.227 CB :: 43.708 CD1 :: 133.344 CE1 :: 118.185 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.294 HA :: 5.127 HB2 :: 2.028 HB3 :: 3.140 HD1 :: 7.113 HD2 :: 7.113 HE1 :: 6.812 HE2 :: 6.812 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.223 Ave N Shift Values>> N :: 120.52(4.2) 1.C13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.07 V 0.05 K 0.05 I 0.05 M 0.03 C Shift Assignments>> C :: 175.193 CA :: 59.517 CB :: 30.312 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.174 HA :: 3.710 HB2 :: 2.390 HB3 :: 4.686(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 :: 115.606 Ave N Shift Values>> N :: 120.17(4.64) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.36 R 0.15 G 0.02 C Shift Assignments>> C :: 178.044 CA :: 57.022 CB :: 42.670 CG :: 27.672 CD1 :: 24.204 CD2 :: 25.537 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.905 HA :: 4.307 HB2 :: 1.880 HB3 :: 2.017 HG :: 2.205 HD11 :: 1.185 HD12 :: 1.185 HD13 :: 1.185 HD21 :: 1.160 HD22 :: 1.160 HD23 :: 1.160 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 :: 126.817 Ave N Shift Values>> N :: 121.86(3.9) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.14 E 0.13 H 0.12 K 0.09 M 0.08 Q 0.08 V 0.03 C Shift Assignments>> C :: 176.021 CA :: 57.996 CB :: 31.017 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.605 HA :: 4.615 HB2 :: 3.161 HB3 :: 3.322 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 :: 114.478 Ave N Shift Values>> N :: 120.17(4.64) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.33 H 0.28 C Shift Assignments>> C :: 173.587 CA :: 56.636 CB :: 26.254 CD2 :: 120.303 CE1 :: 136.246 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 :: 7.670 HA :: 4.398 HB2 :: 3.281 HB3 :: 3.572 HD2 :: 7.211 HE1 :: 8.408 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 :: 119.582 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.3 Q 0.03 E 0.01 C Shift Assignments>> C :: 176.153 CA :: 54.280 CB :: 34.329 CG :: 34.308 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 :: 8.097 HA :: 5.075 HB2 :: 2.531 HB3 :: 2.634 HG2 :: 2.541 HG3 :: 2.641 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 :: 117.203 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.17 C Shift Assignments>> C :: 176.053 CA :: 61.649 CB :: 33.139 CG1 :: 17.897 CG2 :: 21.630 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 :: 8.202 HA :: 4.568 HB :: 2.599 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.572 Ave N Shift Values>> N :: 121.14(4.54) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.118 CA :: 59.540 CB :: 63.355 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.876 HA :: 4.056 HB2 :: 3.667 HB3 :: 3.667 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.319 Ave N Shift Values>> N :: 116.28(3.52) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 174.730 CA :: 58.130 CB :: 39.251 CD1 :: 133.926 CE1 :: 117.304 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.367 HA :: 4.625 HB2 :: 2.953 HB3 :: 3.203 HD1 :: 6.924 HD2 :: 6.924 HE1 :: 6.460 HE2 :: 6.460 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.115 Ave N Shift Values>> N :: 120.52(4.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.219 CA :: 45.738 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.693 HA2 :: 3.782 HA3 :: 3.884 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.015 Ave N Shift Values>> N :: 109.67(3.87) 1.E22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.36 C 0.35 K 0.11 I 0.08 Q 0.06 C Shift Assignments>> C :: 176.060 CA :: 56.649 CB :: 28.237 CG :: 36.291 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 :: 8.261 HA :: 3.991 HB2 :: 0.429(S) HB3 :: 0.897(S) HG2 :: 1.751 HG3 :: 1.888 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 :: 122.277 Ave N Shift Values>> N :: 120.67(3.48) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.36 C 0.19 C Shift Assignments>> C :: 175.087 CA :: 53.053 CB :: 34.556 CG :: 31.646 CE :: 16.990 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 :: 8.314 HA :: 5.505 HB2 :: 1.611 HB3 :: 1.728 HG2 :: 2.095 HG3 :: 2.213 HE1 :: 2.090 HE2 :: 2.090 HE3 :: 2.090 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 :: 124.107 Ave N Shift Values>> N :: 120.09(3.57) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 G 0.05 I 0.05 C Shift Assignments>> C :: 171.939 CA :: 58.352 CB :: 42.768 CG1 :: 28.808 CG2 :: 14.893 CD1 :: 15.141 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.669 HA :: 4.775 HB :: 1.361 HG12 :: 1.254 HG13 :: 0.563 HG21 :: -0.038 HG22 :: -0.038 HG23 :: -0.038 HD11 :: 0.216 HD12 :: 0.216 HD13 :: 0.216 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.957 Ave N Shift Values>> N :: 121.46(4.28) 1.G25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 L 0.28 D 0.07 K 0.06 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 172.542 CA :: 43.077 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.327 HA2 :: 2.622(S) HA3 :: 4.790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.192 Ave N Shift Values>> N :: 109.67(3.87) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.23 W 0.1 K 0.08 R 0.07 H 0.05 E 0.05 M 0.05 P 0.05 Q 0.02 C Shift Assignments>> C :: 177.007 CA :: 60.409 CB :: 32.091 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.703 HA :: 4.548 HB2 :: 3.136 HB3 :: 3.171 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 :: 126.343 Ave N Shift Values>> N :: 120.17(4.64) 1.D27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.21 Y 0.17 L 0.17 D 0.15 K 0.12 C 0.09 I 0.02 N 0.02 C Shift Assignments>> C :: 176.445 CA :: 56.805 CB :: 40.898 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 :: 8.960 HA :: 4.675 HB2 :: 1.711(S) HB3 :: 2.427 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 :: 127.354 Ave N Shift Values>> N :: 120.65(3.86) 1.N28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.69 D 0.12 C 0.09 F 0.03 Y 0.02 L 0.02 C Shift Assignments>> CA :: 50.894 CB :: 38.651 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 :: 8.801 HA :: 5.221 HB2 :: 2.752 HB3 :: 4.112(S) 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 :: 122.941 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P29 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 :: 176.749 CA :: 64.345 CB :: 32.042 CD :: 51.550 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 :: 4.428 HB2 :: 2.118 HB3 :: 2.376 HG2 :: 2.085 HG3 :: 2.085 HD2 :: 4.189 HD3 :: 4.246 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.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.21 N 0.16 K 0.07 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.094 CA :: 53.094 CB :: 41.212 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.254 HA :: 4.768 HB2 :: 2.427 HB3 :: 2.923 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.306 Ave N Shift Values>> N :: 120.65(3.86) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.32 V 0.27 C 0.19 I 0.09 W 0.06 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.730 CA :: 62.986 CB :: 30.691 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.684 HA :: 3.703 HB2 :: 2.875 HB3 :: 3.453 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 :: 125.191 Ave N Shift Values>> N :: 120.17(4.64) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.630 CA :: 60.500 CB :: 63.841 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.566 HA :: 4.398 HB2 :: 3.988 HB3 :: 4.042 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 :: 123.081 Ave N Shift Values>> N :: 116.28(3.52) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.686 CA :: 63.278 CB :: 39.910 CG1 :: 28.338 CG2 :: 18.175 CD1 :: 13.012 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 :: 8.387 HA :: 4.152 HB :: 1.790 HG12 :: 1.074 HG13 :: 1.666 HG21 :: 0.275 HG22 :: 0.275 HG23 :: 0.275 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.733 Ave N Shift Values>> N :: 121.46(4.28) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.44 E 0.08 C Shift Assignments>> C :: 175.840 CA :: 62.853 CB :: 30.023 CG :: 36.534 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.256 HA :: 3.810 HB2 :: 1.677 HB3 :: 1.930 HG2 :: 2.056 HG3 :: 2.347 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 :: 119.824 Ave N Shift Values>> N :: 120.67(3.48) 1.W35 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 :: 174.825 CA :: 56.057 CB :: 33.379 CD1 :: 127.183 CE3 :: 119.687 CZ2 :: 114.772 CZ3 :: 121.820 CH2 :: 124.573 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 :: 8.056 HA :: 5.354 HB2 :: 2.500 HB3 :: 2.657 HD1 :: 6.954 HE3 :: 7.036 HZ2 :: 7.421 HZ3 :: 6.880 HH2 :: 7.159 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 :: 121.086 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 Y 0.23 C 0.13 G 0.03 C Shift Assignments>> C :: 176.176 CA :: 56.134 CB :: 42.730 CD1 :: 131.809 CE1 :: 130.867 CZ :: 129.341 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.233 HA :: 4.905 HB2 :: 2.832 HB3 :: 3.247 HD1 :: 6.977 HD2 :: 6.977 HE1 :: 6.998 HE2 :: 6.998 HZ :: 7.144 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 120.45(4.18) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 H 0.33 W 0.32 C Shift Assignments>> C :: 178.166 CA :: 57.989 CB :: 30.878 CD2 :: 118.947 CE1 :: 137.693 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 :: 9.444 HA :: 4.987 HB2 :: 3.663 HB3 :: 4.034 HD2 :: 6.868 HE1 :: 7.431 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 :: 122.693 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.46 Y 0.04 C Shift Assignments>> C :: 178.692 CA :: 60.740 CB :: 37.739 CD1 :: 131.014 CE1 :: 129.233 CZ :: 128.414 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 :: 8.449 HA :: 3.958 HB2 :: 3.107 HB3 :: 3.362 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 6.659 HE2 :: 6.659 HZ :: 6.916 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 :: 124.251 Ave N Shift Values>> N :: 120.45(4.18) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.04 C 0.03 C Shift Assignments>> C :: 181.189 CA :: 55.328 CB :: 18.294 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.102 HA :: 4.325 HB1 :: 1.620 HB2 :: 1.620 HB3 :: 1.620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.531 Ave N Shift Values>> N :: 123.23(3.54) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 P 0.24 C 0.22 I 0.12 W 0.08 R 0.02 E 0.02 H 0.01 C Shift Assignments>> C :: 176.891 CA :: 62.545 CB :: 30.522 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.386 HA :: 4.265 HB2 :: 3.279 HB3 :: 3.395 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 :: 117.135 Ave N Shift Values>> N :: 120.17(4.64) 1.V41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.93 V 0.06 C Shift Assignments>> C :: 175.755 CA :: 60.027 CB :: 31.744 CG1 :: 17.909 CG2 :: 22.877 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 :: 7.375 HA :: 4.739 HB :: 2.788 HG11 :: 0.838 HG12 :: 0.838 HG13 :: 0.838 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 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 :: 136.697(S) Ave N Shift Values>> N :: 121.14(4.54) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 HN Overlap>> 1.T11 1.T11 C Shift Assignments>> C :: 174.602 CA :: 46.880 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.577 HA2 :: 3.888 HA3 :: 4.018 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.932 Ave N Shift Values>> N :: 109.67(3.87) 1.L43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.49 G 0.22 C 0.16 A 0.09 R 0.02 C Shift Assignments>> C :: 177.098 CA :: 53.844 CB :: 44.020 CG :: 26.135 CD1 :: 25.677 CD2 :: 22.621 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.860 HA :: 4.551 HB2 :: 0.525 HB3 :: 0.884 HG :: 1.244 HD11 :: -0.321(S) HD12 :: -0.321(S) HD13 :: -0.321(S) HD21 :: 0.632 HD22 :: 0.632 HD23 :: 0.632 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.659 Ave N Shift Values>> N :: 121.86(3.9) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.348 CA :: 62.247 CB :: 70.021 CG2 :: 21.894 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.811 HA :: 4.460 HB :: 4.293 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.959 Ave N Shift Values>> N :: 115.42(4.75) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 172.827 CA :: 60.196 CB :: 71.019 CG2 :: 20.843 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.455 HA :: 4.571 HB :: 4.065 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.997 Ave N Shift Values>> N :: 115.42(4.75) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.42 C Shift Assignments>> CA :: 55.334 CB :: 33.124 CG :: 24.810 CD :: 29.625 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 :: 8.685 HA :: 4.011 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.452 HG3 :: 1.641 HD2 :: 1.791 HD3 :: 1.791 HE2 :: 3.123 HE3 :: 3.123 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.246 CA :: 62.956 CB :: 32.241 CG :: 27.344 CD :: 51.000 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 :: 4.410 HB2 :: 1.953 HB3 :: 2.316 HG2 :: 1.747 HG3 :: 1.822 HD2 :: 3.344 HD3 :: 3.555 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.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.06 G 0.05 C Shift Assignments>> C :: 177.025 CA :: 56.310 CB :: 30.387 CG :: 27.249 CD :: 43.238 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 :: 8.576 HA :: 4.337 HB2 :: 1.739 HB3 :: 1.869 HG2 :: 1.661 HG3 :: 1.661 HD2 :: 3.218 HD3 :: 3.218 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 :: 121.353 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.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.182 CA :: 44.332 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.100 HA2 :: 3.953 HA3 :: 4.049 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.577 Ave N Shift Values>> N :: 109.67(3.87) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.19 G 0.01 C Shift Assignments>> C :: 176.458 CA :: 56.304 CB :: 33.743 CG :: 25.322 CD :: 29.161 CE :: 42.479 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 :: 8.203 HA :: 4.289 HB2 :: 1.706 HB3 :: 1.706 HG2 :: 1.337 HG3 :: 1.539 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 3.221 HE3 :: 3.221 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 :: 120.226 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 172.081 CA :: 58.917 CB :: 31.272 CD1 :: 126.166 CE3 :: 123.029 CZ2 :: 112.821 CZ3 :: 120.204 CH2 :: 122.631 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 :: 9.630 HA :: 4.370 HB2 :: 2.705 HB3 :: 3.201 HD1 :: 7.202 HE3 :: 7.442 HZ2 :: 6.920 HZ3 :: 6.378 HH2 :: 5.846 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 :: 126.462 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.06 Y 0.05 R 0.04 C 0.04 C Shift Assignments>> C :: 173.746 CA :: 54.262 CB :: 41.732 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 :: 6.967 HA :: 5.025 HB2 :: 2.281 HB3 :: 2.427 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.602 Ave N Shift Values>> N :: 120.45(4.18) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 R 0.14 C 0.14 H 0.13 Q 0.11 M 0.06 K 0.06 V 0.01 I 0.01 C Shift Assignments>> CA :: 57.613 CB :: 30.395 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.739 HA :: 3.576 HB2 :: 1.915 HB3 :: 2.276 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 :: 125.541 Ave N Shift Values>> N :: 120.17(4.64) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.930 CA :: 66.086 CB :: 32.086 CD :: 50.077 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 :: 4.132 HB2 :: 1.909 HB3 :: 2.453 HG2 :: 2.105 HG3 :: 2.173 HD2 :: 3.374 HD3 :: 3.497 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.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 G 0.06 K 0.03 HN Overlap>> 1.Y12 1.Y12 C Shift Assignments>> C :: 178.913 CA :: 58.885 CB :: 30.476 CG :: 27.138 CD :: 43.317 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 :: 8.210 HA :: 4.188 HB2 :: 2.007 HB3 :: 2.065 HG2 :: 1.676 HG3 :: 1.759 HD2 :: 3.261 HD3 :: 3.261 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.255 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.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 V 0.21 C 0.2 P 0.18 W 0.05 C Shift Assignments>> C :: 178.276 CA :: 63.918 CB :: 29.739 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.761 HA :: 3.908 HB2 :: 2.795 HB3 :: 2.921 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 :: 124.710 Ave N Shift Values>> N :: 120.17(4.64) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.623 CA :: 61.053 CB :: 63.020 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.669 HA :: 3.834 HB2 :: 3.640 HB3 :: 3.779 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 :: 114.488 Ave N Shift Values>> N :: 116.28(3.52) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.27 E 0.06 R 0.06 M 0.03 HN Overlap>> 1.Y20 1.Y20 C Shift Assignments>> C :: 177.260 CA :: 57.443 CB :: 28.786 CG :: 33.732 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 :: 7.458 HA :: 4.100 HB2 :: 2.094 HB3 :: 2.158 HG2 :: 2.394 HG3 :: 2.444 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 :: 120.051 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 K 0.07 I 0.06 M 0.06 Q 0.05 C Shift Assignments>> C :: 177.200 CA :: 57.818 CB :: 30.020 CG :: 36.256 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.774 HA :: 4.125 HB2 :: 1.920 HB3 :: 2.031 HG2 :: 2.209 HG3 :: 2.312 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 :: 119.184 Ave N Shift Values>> N :: 120.67(3.48) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 K 0.07 G 0.03 C Shift Assignments>> C :: 176.365 CA :: 56.483 CB :: 30.361 CG :: 27.085 CD :: 42.939 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.723 HA :: 4.150 HB2 :: 1.570 HB3 :: 1.740 HG2 :: 1.435 HG3 :: 1.435 HD2 :: 2.621 HD3 :: 2.621 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.332 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.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 C Shift Assignments>> C :: 176.390 CA :: 56.541 CB :: 32.901 CG :: 24.782 CD :: 29.133 CE :: 42.135 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 :: 7.784 HA :: 4.219 HB2 :: 1.738 HB3 :: 1.819 HG2 :: 1.386 HG3 :: 1.386 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.949 HE3 :: 2.949 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 :: 121.031 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 C Shift Assignments>> C :: 175.586 CA :: 56.521 CB :: 32.957 CG :: 24.777 CD :: 29.161 CE :: 42.193 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 :: 8.064 HA :: 4.257 HB2 :: 1.740 HB3 :: 1.837 HG2 :: 1.452 HG3 :: 1.452 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.643 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 C 0.2 M 0.17 K 0.14 V 0.13 P 0.02 R 0.02 H 0.02 W 0.01 E 0.01 C Shift Assignments>> CB :: 33.735 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 :: 7.890 HA :: 4.140 HB2 :: 1.800 HB3 :: 1.696 HE2 :: 2.988 HE3 :: 2.988 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 :: 128.045 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 56 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 62 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 63 #Suspicious: 0 C Shift Results: #Consistent: 256 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 394 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 55 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.C13 HB3 = 4.686(S), Expected = 2.89, Std = 0.4600, ChiSquare = 9.4480e-05 1.E22 HB2 = 0.429(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.5585e-14 1.E22 HB3 = 0.897(S), Expected = 1.99, Std = 0.2300, ChiSquare = 2.0124e-06 1.G25 HA2 = 2.622(S), Expected = 3.97, Std = 0.3700, ChiSquare = 2.6922e-04 1.D27 HB2 = 1.711(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.0413e-04 1.N28 HB3 = 4.112(S), Expected = 2.75, Std = 0.3300, ChiSquare = 3.6709e-05 1.V41 N = 136.697(S), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1107e-04 1.L43 HD11 = -0.321(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3077e-04 1.L43 HD12 = -0.321(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3077e-04 1.L43 HD13 = -0.321(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3077e-04