Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> CA :: 52.747 CB :: 19.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.282 HA :: 4.336 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.795 Ave N Shift Values>> N :: 123.23(3.54) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.09 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.848 CB :: 19.496 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.211 HA :: 4.301 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.975 Ave N Shift Values>> N :: 123.23(3.54) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.11 Q 0.11 M 0.1 R 0.1 K 0.09 L 0.08 E 0.07 C 0.06 F 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.416 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 :: 8.298 HA :: 4.368 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.968 Ave N Shift Values>> N :: 120.67(3.48) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> CA :: 61.461 CB :: 39.109 CG1 :: 27.466 CG2 :: 17.884 CD1 :: 13.403 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 :: 8.066 HA :: 4.226 HB :: 1.894 HG12 :: 1.538 HG13 :: 1.192 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 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 :: 121.217 Ave N Shift Values>> N :: 121.46(4.28) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M49 1.M49 C Shift Assignments>> CA :: 58.284 CB :: 64.256 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.294 HA :: 4.577 HB2 :: 3.917 HB3 :: 3.917 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 :: 119.332 Ave N Shift Values>> N :: 116.28(3.52) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.492 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.111 HA2 :: 4.071 HA3 :: 4.005 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.669 Ave N Shift Values>> N :: 109.67(3.87) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.61 C 0.38 C Shift Assignments>> CA :: 55.513 CB :: 29.326 CD2 :: 119.155 CE1 :: 137.527 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.845 HA :: 4.860 HB2 :: 3.490 HB3 :: 3.176 HD2 :: 6.695 HE1 :: 8.644 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 :: 119.071 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 60.823 CB :: 39.367 CG1 :: 28.409 CG2 :: 18.701 CD1 :: 13.413 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 :: 8.517 HA :: 4.450 HB :: 1.690 HG12 :: 1.629 HG13 :: 0.941 HG21 :: 0.660 HG22 :: 0.660 HG23 :: 0.660 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 127.561 Ave N Shift Values>> N :: 121.46(4.28) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> CA :: 62.465 CB :: 32.768 CG1 :: 20.921 CG2 :: 20.656 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 :: 9.014 HA :: 4.108 HB :: 1.953 HG11 :: 1.038 HG12 :: 1.038 HG13 :: 1.038 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 :: 128.028 Ave N Shift Values>> N :: 121.14(4.54) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.38 R 0.08 G 0.07 C Shift Assignments>> CA :: 54.226 CB :: 33.129 CG :: 29.915 CD :: 42.957 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 :: 8.861 HA :: 4.827 HB2 :: 1.414 HB3 :: 1.131 HG2 :: 1.408 HG3 :: 0.940 HD2 :: 3.021 HD3 :: 2.956 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 :: 128.205 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.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.336 CB :: 64.786 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.496 HA :: 4.537 HB2 :: 4.543 HB3 :: 3.854 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 :: 112.613 Ave N Shift Values>> N :: 116.28(3.52) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.555 CB :: 32.139 CG :: 26.673 CD :: 50.896 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 :: 4.885 HB2 :: 2.385 HB3 :: 2.313 HG2 :: 2.265 HG3 :: 1.878 HD2 :: 4.131 HD3 :: 3.821 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.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 E 0.21 M 0.17 K 0.12 C Shift Assignments>> CA :: 55.462 CB :: 34.818 CG :: 30.346 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.869 HA :: 4.995 HB2 :: 2.279 HB3 :: 2.112 HG2 :: 2.277 HG3 :: 2.145 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 :: 114.391 Ave N Shift Values>> N :: 120.09(3.57) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> CA :: 61.890 CB :: 32.942 CG1 :: 23.088 CG2 :: 21.478 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 :: 8.144 HA :: 4.403 HB :: 2.051 HG11 :: 1.252 HG12 :: 1.252 HG13 :: 1.252 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 :: 120.561 Ave N Shift Values>> N :: 121.14(4.54) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.394 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.958 HA2 :: 4.210 HA3 :: 4.210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.031 Ave N Shift Values>> N :: 109.67(3.87) 1.T16 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>> CA :: 63.159 CB :: 70.326 CG2 :: 21.532 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.441 HA :: 4.758 HB :: 4.151 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 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 :: 120.056 Ave N Shift Values>> N :: 115.42(4.75) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.26 G 0.02 C Shift Assignments>> CA :: 58.126 CB :: 42.291 CD1 :: 131.769 CD2 :: 131.769 CE1 :: 131.735 CE2 :: 131.735 CZ :: 127.276 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 :: 8.814 HA :: 4.996 HB2 :: 3.149 HB3 :: 3.010 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 7.317 HE2 :: 7.317 HZ :: 6.878 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 :: 129.130 Ave N Shift Values>> N :: 120.45(4.18) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 G 0.25 C 0.19 C Shift Assignments>> CA :: 58.399 CB :: 43.706 CD1 :: 133.247 CD2 :: 133.247 CE1 :: 117.787 CE2 :: 117.787 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 :: 9.065 HA :: 4.867 HB2 :: 3.144 HB3 :: 2.521 HD1 :: 7.060 HD2 :: 7.060 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 :: 121.658 Ave N Shift Values>> N :: 120.52(4.2) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.34 K 0.24 C Shift Assignments>> CA :: 55.474 CB :: 31.751 CG :: 27.088 CD :: 41.903 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 :: 8.644 HA :: 4.286 HB2 :: 2.277 HB3 :: 2.123 HG2 :: 2.365 HG3 :: 1.821 HD2 :: 3.894 HD3 :: 3.497 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.266 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.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 T 0.3 A 0.02 C Shift Assignments>> CA :: 57.332 CB :: 70.264 CG2 :: 23.128 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 :: 7.585 HA :: 4.347 HB :: 4.317 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 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 :: 107.175 Ave N Shift Values>> N :: 115.42(4.75) 1.P21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.785 CB :: 31.427 CG :: 26.563 CD :: 50.184 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 :: 4.305 HB2 :: 2.305 HB3 :: 1.977 HG2 :: 1.772 HG3 :: 1.701 HD2 :: 3.468 HD3 :: 1.970(S) 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.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.692 CB :: 62.579 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.140 HA :: 4.756 HB2 :: 3.980 HB3 :: 3.858 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 :: 110.326 Ave N Shift Values>> N :: 116.28(3.52) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.15 I 0.01 C Shift Assignments>> CA :: 65.702 CB :: 32.145 CG :: 27.660 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 :: 4.334 HB2 :: 2.412 HB3 :: 1.880 HG2 :: 2.080 HG3 :: 1.970 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.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.21 L 0.16 F 0.09 Y 0.08 C 0.06 K 0.03 C Shift Assignments>> CA :: 53.921 CB :: 40.437 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 :: 8.447 HA :: 4.656 HB2 :: 2.782 HB3 :: 2.782 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.169 Ave N Shift Values>> N :: 120.65(3.86) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.39 C 0.14 K 0.02 C Shift Assignments>> CA :: 51.058 CB :: 22.778 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.276 HA :: 4.533 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.335 Ave N Shift Values>> N :: 123.23(3.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.31 L 0.12 R 0.1 G 0.01 C Shift Assignments>> CA :: 56.102 CG :: 24.840 CD :: 29.264 CE :: 42.329 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 :: 7.999 HA :: 4.205 HG2 :: 1.574 HG3 :: 1.574 HD2 :: 1.759 HD3 :: 1.759 HE2 :: 3.097 HE3 :: 3.097 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.788 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.620 CB :: 19.532 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.489 HA :: 4.020 HB1 :: 1.548 HB2 :: 1.548 HB3 :: 1.548 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.926 Ave N Shift Values>> N :: 123.23(3.54) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.42 C 0.13 C Shift Assignments>> CA :: 62.090 CB :: 40.589 CD1 :: 132.309 CD2 :: 132.309 CE1 :: 130.593 CE2 :: 130.593 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.781 HA :: 4.255 HB2 :: 3.440 HB3 :: 2.697 HD1 :: 7.199 HD2 :: 7.199 HE1 :: 7.117 HE2 :: 7.117 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.770 Ave N Shift Values>> N :: 120.45(4.18) 1.I29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.49 C 0.48 A 0.01 C Shift Assignments>> CA :: 58.514 CB :: 44.563 CG1 :: 25.908 CG2 :: 20.117 CD1 :: 16.455 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.725 HA :: 5.241 HB :: 1.780 HG12 :: 1.700 HG13 :: 1.594 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 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 :: 105.302(S) Ave N Shift Values>> N :: 121.46(4.28) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.43 Q 0.06 E 0.04 C Shift Assignments>> CA :: 53.797 CB :: 33.385 CG :: 34.633 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 :: 7.352 HA :: 4.603 HB2 :: 2.192 HB3 :: 1.761 HG2 :: 2.443 HG3 :: 2.371 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.345 Ave N Shift Values>> N :: 120.67(3.48) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 66.214 CB :: 31.566 CG1 :: 23.121 CG2 :: 21.707 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 :: 9.062 HA :: 3.459 HB :: 2.057 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.436 Ave N Shift Values>> N :: 121.14(4.54) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.909 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.331 HA2 :: 4.528 HA3 :: 3.623 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.731 Ave N Shift Values>> N :: 109.67(3.87) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.3 Q 0.23 E 0.07 K 0.03 C Shift Assignments>> CA :: 56.386 CB :: 31.554 CG :: 33.902 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 :: 7.900 HA :: 4.455 HB2 :: 2.452 HB3 :: 2.135 HG2 :: 2.675 HG3 :: 2.497 HE21 :: 7.765 HE22 :: 7.109 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 :: 120.838 NE2 :: 111.785 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K34 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>> CA :: 56.390 CB :: 32.927 CG :: 25.351 CD :: 29.175 CE :: 42.443 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 :: 8.756 HA :: 5.006 HB2 :: 1.882 HB3 :: 1.729 HG2 :: 1.565 HG3 :: 1.500 HD2 :: 1.729 HD3 :: 1.729 HE2 :: 3.048 HE3 :: 3.048 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.12 I 0.01 C Shift Assignments>> CA :: 59.165 CB :: 35.692 CG1 :: 22.612 CG2 :: 18.814 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 :: 9.255 HA :: 4.874 HB :: 2.202 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.904 Ave N Shift Values>> N :: 121.14(4.54) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.17 C 0.06 K 0.06 F 0.03 R 0.03 Y 0.02 G 0.01 C Shift Assignments>> CA :: 51.043 CB :: 41.802 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.074 HA :: 5.098 HB2 :: 2.725 HB3 :: 2.659 HD21 :: 8.082 HD22 :: 6.984 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 :: 121.915 ND2 :: 115.095 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> CA :: 65.194 CB :: 31.470 CG1 :: 21.036 CG2 :: 22.400 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 :: 8.114 HA :: 3.199 HB :: 1.848 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.536 Ave N Shift Values>> N :: 121.14(4.54) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.743 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.965 HA2 :: 4.513 HA3 :: 3.696 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.487 Ave N Shift Values>> N :: 109.67(3.87) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.13 Y 0.1 N 0.09 K 0.08 C 0.06 C Shift Assignments>> CA :: 55.057 CB :: 40.828 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 :: 8.206 HA :: 4.656 HB2 :: 2.806 HB3 :: 2.693 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.614 Ave N Shift Values>> N :: 120.65(3.86) 1.T40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 65.302 CB :: 69.029 CG2 :: 22.199 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 :: 3.908 HB :: 3.548 HG21 :: 0.093(S) HG22 :: 0.093(S) HG23 :: 0.093(S) 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 :: 119.803 Ave N Shift Values>> N :: 115.42(4.75) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.26 L 0.19 R 0.03 A 0.01 C Shift Assignments>> CA :: 55.245 CB :: 45.052 CG :: 26.837 CD1 :: 23.696 CD2 :: 27.117 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 :: 9.232 HA :: 4.504 HB2 :: 1.835 HG :: 2.010 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.918 Ave N Shift Values>> N :: 121.86(3.9) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.17 E 0.15 R 0.14 K 0.14 C 0.13 M 0.05 I 0.01 C Shift Assignments>> CA :: 56.185 CB :: 29.582 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.426 HA :: 4.636 HB2 :: 3.210 HB3 :: 2.607 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 :: 107.966 Ave N Shift Values>> N :: 120.17(4.64) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.22 I 0.06 C Shift Assignments>> CA :: 58.994 CB :: 43.908 CG1 :: 29.528 CG2 :: 18.196 CD1 :: 14.775 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 :: 8.544 HA :: 5.130 HB :: 1.624 HG12 :: 1.630 HG13 :: 1.040 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 HD11 :: 1.093 HD12 :: 1.093 HD13 :: 1.093 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.339 Ave N Shift Values>> N :: 121.46(4.28) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 62.659 CB :: 34.030 CG1 :: 21.952 CG2 :: 21.468 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 :: 8.782 HA :: 4.795 HB :: 1.944 HG11 :: 1.064 HG12 :: 1.064 HG13 :: 1.064 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 :: 124.073 Ave N Shift Values>> N :: 121.14(4.54) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.16 H 0.16 C 0.15 K 0.12 E 0.08 Q 0.08 C Shift Assignments>> CA :: 54.846 CB :: 31.490 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 :: 9.885 HA :: 5.336 HB2 :: 2.510 HB3 :: 2.068 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 :: 131.441 Ave N Shift Values>> N :: 120.67(3.48) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.29 C 0.09 C Shift Assignments>> CA :: 52.531 CB :: 21.798 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.658 HA :: 4.854 HB1 :: 1.582 HB2 :: 1.582 HB3 :: 1.582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.448 Ave N Shift Values>> N :: 123.23(3.54) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.19 C 0.18 Q 0.14 R 0.09 H 0.08 E 0.04 V 0.03 C Shift Assignments>> CA :: 56.915 CB :: 32.899 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.581 HA :: 4.164 HB2 :: 2.716 HB3 :: 2.638 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 :: 123.765 Ave N Shift Values>> N :: 120.09(3.57) 1.K48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Anomalous PRTL>> C 0.48 R 0.31 K 0.17 G 0.02 C Shift Assignments>> CA :: 56.612 CB :: 29.178 CG :: 24.581 CD :: 30.099 CE :: 42.614 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.262 HA :: 3.845 HB2 :: 2.217 HB3 :: 2.032 HG2 :: 1.299 HD2 :: 1.521 HD3 :: 1.346 HE2 :: 3.138 HE3 :: 3.138 HZ1 :: 8.064(U) HZ2 :: 8.064(U) HZ3 :: 8.064(U) 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 :: 110.260 NZ :: 131.04(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.28 A 0.23 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> CA :: 54.761 CB :: 33.058 CG :: 32.431 CE :: 17.379 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 :: 8.225 HA :: 4.741 HB2 :: 2.330 HB3 :: 2.219 HG2 :: 2.654 HG3 :: 2.654 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.398 Ave N Shift Values>> N :: 120.09(3.57) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.32 C 0.22 C Shift Assignments>> CA :: 54.052 CB :: 31.522 CG :: 32.639 CE :: 18.684 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 :: 8.856 HA :: 4.421 HB2 :: 2.348 HB3 :: 1.721 HG2 :: 2.822 HG3 :: 2.471 HE1 :: 2.050 HE2 :: 2.050 HE3 :: 2.050 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 :: 122.866 Ave N Shift Values>> N :: 120.09(3.57) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.29 L 0.11 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> CA :: 53.722 CB :: 39.833 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.943 HA :: 4.791 HB2 :: 3.281 HB3 :: 2.591 HD21 :: 7.281 HD22 :: 7.094 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 :: 122.062 ND2 :: 113.815 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.21 M 0.02 R 0.02 I 0.01 C Shift Assignments>> CA :: 56.511 CB :: 28.882 CG :: 34.916 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 :: 9.018 HA :: 4.363 HB2 :: 2.063 HB3 :: 1.940 HG2 :: 2.492 HG3 :: 2.048 HE21 :: 7.545 HE22 :: 6.925 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 :: 124.165 NE2 :: 110.785 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.35 M 0.01 C Shift Assignments>> CA :: 59.206 CB :: 35.917 CG1 :: 28.630 CG2 :: 17.668 CD1 :: 11.245 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 :: 8.343 HA :: 4.314 HB :: 2.304 HG12 :: 1.473 HG13 :: 1.116 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.012 Ave N Shift Values>> N :: 121.46(4.28) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.24 Q 0.23 K 0.04 E 0.03 C Shift Assignments>> CA :: 53.750 CB :: 31.367 CG :: 33.638 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 :: 8.813 HA :: 5.055 HB2 :: 1.870 HB3 :: 1.640 HG2 :: 2.252 HG3 :: 2.252 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 :: 125.933 Ave N Shift Values>> N :: 120.67(3.48) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 C Shift Assignments>> CA :: 53.932 CB :: 18.622 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.033 HA :: 4.038 HB1 :: 1.599 HB2 :: 1.599 HB3 :: 1.599 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.770 Ave N Shift Values>> N :: 123.23(3.54) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.28 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> CA :: 53.088 CB :: 39.726 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 :: 8.719 HA :: 4.714 HB2 :: 3.071 HB3 :: 2.800 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 :: 121.461 Ave N Shift Values>> N :: 120.65(3.86) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.35 R 0.1 G 0.02 C Shift Assignments>> CA :: 55.205 CB :: 36.451 CG :: 24.401 CD :: 29.186 CE :: 42.296 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 :: 7.335 HA :: 4.231 HB2 :: 1.181 HB3 :: 1.181 HG2 :: 1.270 HG3 :: 1.153 HD2 :: 1.239 HD3 :: 1.239 HE2 :: 2.923 HE3 :: 2.923 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 :: 119.554 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.826 CB :: 64.551 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.348 HA :: 4.893 HB2 :: 4.105 HB3 :: 4.105 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.683 Ave N Shift Values>> N :: 116.28(3.52) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.943 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.395 HA2 :: 4.333 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.322 Ave N Shift Values>> N :: 109.67(3.87) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 62.068 CB :: 70.747 CG2 :: 21.677 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.183 HA :: 4.969 HB :: 3.967 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 115.42(4.75) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> CA :: 64.710 CB :: 31.497 CG1 :: 22.794 CG2 :: 22.273 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 :: 9.133 HA :: 4.000 HB :: 2.503 HG11 :: 1.079 HG12 :: 1.079 HG13 :: 1.079 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 :: 125.752 Ave N Shift Values>> N :: 121.14(4.54) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 R 0.06 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> CA :: 56.178 CB :: 34.558 CG :: 24.629 CD :: 28.781 CE :: 42.064 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.309 HA :: 4.544 HB2 :: 1.708 HB3 :: 1.708 HG2 :: 1.514 HG3 :: 1.514 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 3.025 HE3 :: 3.025 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 :: 132.530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.37 C 0.11 K 0.02 C Shift Assignments>> CA :: 52.455 CB :: 22.423 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.677 HA :: 4.581 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.523 Ave N Shift Values>> N :: 123.23(3.54) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 62.613 CB :: 39.785 CG1 :: 28.358 CG2 :: 18.362 CD1 :: 14.566 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 :: 8.898 HA :: 4.477 HB :: 1.855 HG12 :: 1.543 HG13 :: 0.979 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 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 :: 122.388 Ave N Shift Values>> N :: 121.46(4.28) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.34 R 0.2 G 0.02 A 0.01 C Shift Assignments>> CA :: 56.997 CB :: 42.499 CG :: 27.729 CD1 :: 22.612 CD2 :: 25.764 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.373 HA :: 4.199 HB2 :: 1.664 HB3 :: 1.470 HG :: 1.251 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 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 :: 123.675 Ave N Shift Values>> N :: 121.86(3.9) 1.V66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> CA :: 60.134 CB :: 34.982 CG1 :: 22.750 CG2 :: 21.133 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 :: 6.727 HA :: 4.174 HB :: 0.405(S) HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 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 :: 115.544 Ave N Shift Values>> N :: 121.14(4.54) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.29 M 0.25 Q 0.09 K 0.02 C Shift Assignments>> CA :: 55.204 CB :: 31.139 CG :: 35.709 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 :: 8.144 HA :: 4.598 HB2 :: 2.210 HB3 :: 1.905 HG2 :: 2.502 HG3 :: 2.408 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 :: 122.983 Ave N Shift Values>> N :: 120.67(3.48) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.222 CB :: 63.971 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.994 HA :: 4.436 HB2 :: 4.255 HB3 :: 4.032 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 :: 115.658 Ave N Shift Values>> N :: 116.28(3.52) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.203 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.653 HA2 :: 4.413 HA3 :: 3.130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.373 Ave N Shift Values>> N :: 109.67(3.87) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.23 K 0.21 E 0.1 M 0.08 R 0.01 C Shift Assignments>> CA :: 53.693 CB :: 29.567 CG :: 34.432 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 :: 7.761 HA :: 4.799 HB2 :: 2.264 HB3 :: 2.170 HG2 :: 2.560 HG3 :: 2.408 HE21 :: 7.760 HE22 :: 7.032 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 :: 120.160 NE2 :: 113.605 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.875 CB :: 32.664 CG :: 27.608 CD :: 51.065 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 :: 5.128 HB2 :: 2.431 HB3 :: 2.071 HG2 :: 2.242 HG3 :: 2.136 HD2 :: 4.013 HD3 :: 3.842 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.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.09 A 0.01 V 0.01 C Shift Assignments>> CA :: 58.735 CB :: 36.455 CG1 :: 19.326 CG2 :: 24.373 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 :: 9.244 HA :: 5.090 HB :: 2.055 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 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 :: 113.462 Ave N Shift Values>> N :: 121.14(4.54) 1.E73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.V37 1.V37 H Shift Assignments>> H :: 8.145 HA :: 4.726 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 :: 119.486 Ave N Shift Values>> N :: 120.67(3.48) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> CA :: 60.219 CB :: 39.250 CD1 :: 131.545 CD2 :: 131.545 CE1 :: 131.725 CE2 :: 131.725 CZ :: 130.452 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 :: 8.267 HA :: 3.719 HB2 :: 3.080 HB3 :: 2.933 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 7.415 HE2 :: 7.415 HZ :: 7.376 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.120 Ave N Shift Values>> N :: 120.45(4.18) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 N 0.15 Y 0.14 L 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> CA :: 55.208 CB :: 40.044 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 :: 8.556 HA :: 3.998 HB2 :: 2.844 HB3 :: 2.093 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 :: 124.654 Ave N Shift Values>> N :: 120.65(3.86) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 M 0.17 C 0.14 K 0.1 E 0.1 Q 0.1 C Shift Assignments>> CA :: 54.966 CB :: 31.140 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 :: 7.706 HA :: 4.404 HB2 :: 2.173 HB3 :: 1.860 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.640 Ave N Shift Values>> N :: 120.67(3.48) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.290 CB :: 32.218 CG :: 27.606 CD :: 50.676 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 :: 4.472 HB2 :: 2.358 HB3 :: 1.965 HG2 :: 2.091 HG3 :: 2.091 HD2 :: 3.871 HD3 :: 3.708 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.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.28 C 0.27 C Shift Assignments>> CA :: 56.462 CB :: 45.675 CG :: 26.462 CD1 :: 25.897 CD2 :: 23.435 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.973 HA :: 4.608 HB2 :: 1.853 HB3 :: 1.421 HG :: 2.037 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.711 HD22 :: 0.711 HD23 :: 0.711 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.064 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.05 L 0.03 V 0.01 C Shift Assignments>> CA :: 60.286 CB :: 38.373 CG1 :: 22.854 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 :: 7.392 HA :: 4.835 HB :: 1.840 HG11 :: 1.135 HG12 :: 1.135 HG13 :: 1.135 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 :: 115.027 Ave N Shift Values>> N :: 121.14(4.54) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 61.466 CB :: 33.735 CG1 :: 21.292 CG2 :: 21.537 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 :: 8.695 HA :: 4.922 HB :: 1.892 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 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 :: 125.092 Ave N Shift Values>> N :: 121.14(4.54) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.44 G 0.01 C Shift Assignments>> CA :: 60.116 CB :: 42.114 CG1 :: 28.432 CG2 :: 16.837 CD1 :: 14.208 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 :: 9.482 HA :: 4.815 HB :: 1.600 HG12 :: 1.690 HG13 :: 0.918 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 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 :: 129.544 Ave N Shift Values>> N :: 121.46(4.28) 1.E82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.62 E 0.19 M 0.16 HN Overlap>> 1.K62 1.K62 C Shift Assignments>> CA :: 58.034 CB :: 33.153 CG :: 36.409 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 :: 9.278 HA :: 4.558 HB2 :: 2.053 HB3 :: 1.962 HG2 :: 2.368 HG3 :: 2.322 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 :: 132.483(S) Ave N Shift Values>> N :: 120.67(3.48) 2.BTN1 Overall Status: Residue type BTN not supported. ########################################################################### Overall Results: #Consistent: 76 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 82 #Suspicious: 0 C Shift Results: #Consistent: 269 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 523 #Duplicate: 0 #Unknown: 3 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 Error Summary: 1.P21 HD3 = 1.970(S), Expected = 3.61, Std = 0.3900, ChiSquare = 2.6093e-05 1.I29 N = 105.302(S), Expected = 121.46, Std = 4.2800, ChiSquare = 1.5986e-04 1.T40 HG21 = 0.093(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.3094e-06 1.T40 HG22 = 0.093(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.3094e-06 1.T40 HG23 = 0.093(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.3094e-06 1.K48 HZ1 = 8.064(U) 1.K48 HZ2 = 8.064(U) 1.K48 HZ3 = 8.064(U) 1.K48 NZ = 131.04(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.V66 HB = 0.405(S), Expected = 1.98, Std = 0.3200, ChiSquare = 8.5719e-07 1.E82 N = 132.483(S), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8744e-04