Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.207 CA :: 58.118 CB :: 64.014 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.199 HA :: 4.476 HB2 :: 3.820 HB3 :: 3.820 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.006 Ave N Shift Values>> N :: 116.3(3.95) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.523 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.817 HA2 :: 4.031 HA3 :: 4.031 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.285 Ave N Shift Values>> N :: 109.91(4.29) 1.P3 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 176.854 CA :: 62.562 CB :: 31.580 CG :: 31.628(S) CD :: 49.723 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.415 HB2 :: 1.971 HB3 :: 1.971 HG3 :: 1.677 HD2 :: 3.577 HD3 :: 3.627 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) SRO Rule Breaks>> (CB > CG : 0.9931) 1.S4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.802 CA :: 60.521 CB :: 63.330 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.420(S) HA :: 4.298 HB2 :: 3.918 HB3 :: 3.918 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.611 Ave N Shift Values>> N :: 116.3(3.95) 1.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.15 M 0.13 W 0.11 R 0.1 E 0.08 H 0.07 Q 0.07 V 0.06 I 0.01 C Shift Assignments>> C :: 176.863 CA :: 58.063 CB :: 32.418 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.167 HA :: 4.701 HB2 :: 3.321 HB3 :: 2.526 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.169 Ave N Shift Values>> N :: 119.95(4.79) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 176.325 CA :: 57.907 CB :: 31.933 CG :: 24.695 CD :: 29.226 CE :: 42.395 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.968 HA :: 3.986 HB2 :: 1.790 HB3 :: 1.676 HG2 :: 1.328 HG3 :: 1.074 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.185 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 R 0.12 E 0.12 V 0.08 H 0.08 K 0.06 M 0.06 Q 0.05 I 0.05 P 0.01 C Shift Assignments>> C :: 176.401 CA :: 59.410 CB :: 31.017 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.874 HA :: 4.360 HB2 :: 3.164 HB3 :: 3.131 HD2 :: 7.350 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.605 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.13 M 0.13 W 0.12 R 0.12 E 0.1 H 0.09 V 0.05 Q 0.05 I 0.01 C Shift Assignments>> C :: 176.920 CA :: 57.926 CB :: 31.925 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.086 HA :: 4.843 HB2 :: 3.069 HB3 :: 2.814 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.147 Ave N Shift Values>> N :: 119.95(4.79) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 K 0.19 L 0.02 M 0.01 C Shift Assignments>> C :: 174.683 CA :: 57.642 CB :: 28.435 CG :: 25.410 CD :: 29.550 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.912 HA :: 3.883 HB2 :: 2.080 HB3 :: 1.954 HG2 :: 1.353 HG3 :: 1.252 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 3.265 HE3 :: 3.265 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.21 Y 0.13 D 0.12 F 0.1 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 174.868 CA :: 54.471 CB :: 38.265 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.883 HA :: 4.201 HB2 :: 3.020 HB3 :: 3.107 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.512 Ave N Shift Values>> N :: 120.73(4.2) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.2 L 0.14 C 0.11 F 0.07 Y 0.06 K 0.06 R 0.01 C Shift Assignments>> C :: 177.139 CA :: 53.378 CB :: 40.659 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.241 HA :: 4.563 HB2 :: 2.642 HB3 :: 2.933 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.725 Ave N Shift Values>> N :: 120.73(4.2) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.673 CA :: 63.887 CB :: 31.268 CG1 :: 21.143 CG2 :: 18.655 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.059 HA :: 3.882 HB :: 2.294 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.060 Ave N Shift Values>> N :: 121.02(4.96) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.22 C 0.15 Y 0.1 F 0.09 L 0.06 C Shift Assignments>> C :: 174.691 CA :: 53.828 CB :: 39.210 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.507 HA :: 4.708 HB2 :: 2.861 HB3 :: 2.869 HD21 :: 8.015 HD22 :: 7.032 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.724 ND2 :: 115.303 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.36 G 0.18 K 0.06 C Shift Assignments>> C :: 175.853 CA :: 54.539 CB :: 32.345 CG :: 26.948 CD :: 43.915 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.961 HA :: 4.628 HB2 :: 1.962 HB3 :: 1.808 HG2 :: 1.706 HG3 :: 1.648 HD2 :: 3.317 HD3 :: 3.317 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.992 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.25 R 0.11 A 0.06 G 0.02 C Shift Assignments>> C :: 177.619 CA :: 54.733 CB :: 42.503 CG :: 27.216 CD1 :: 25.564 CD2 :: 22.481 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.450 HA :: 4.429 HB2 :: 1.727 HB3 :: 1.314 HG :: 1.800 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.936 Ave N Shift Values>> N :: 121.98(4.07) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 C 0.21 W 0.09 K 0.08 P 0.06 M 0.06 R 0.05 Q 0.04 E 0.04 H 0.03 I 0.02 C Shift Assignments>> C :: 174.465 CA :: 60.451 CB :: 32.704 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.287 HA :: 4.452 HB2 :: 2.980 HB3 :: 2.344 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.654 Ave N Shift Values>> N :: 119.95(4.79) 1.R17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.08 G 0.07 L 0.03 C Shift Assignments>> C :: 175.080 CA :: 56.306 CB :: 29.088 CG :: 28.622 CD :: 43.286 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.884 HA :: 4.590 HB2 :: 2.065 HB3 :: 1.536 HG2 :: 1.520 HG3 :: 1.275 HD2 :: 2.997 HD3 :: 2.997 HE :: 9.224(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.783 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.606 CA :: 65.689 CB :: 32.255 CG1 :: 23.270 CG2 :: 20.873 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.057 HA :: 4.120 HB :: 1.885 HG11 :: 0.896 HG12 :: 0.896 HG13 :: 0.896 HG21 :: 0.420 HG22 :: 0.420 HG23 :: 0.420 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.803 Ave N Shift Values>> N :: 121.02(4.96) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.13 R 0.13 E 0.11 K 0.11 M 0.1 H 0.09 Q 0.06 V 0.05 I 0.02 C Shift Assignments>> C :: 174.506 CA :: 58.198 CB :: 31.534 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.360 HA :: 4.963 HB2 :: 3.235 HB3 :: 2.760 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.585 Ave N Shift Values>> N :: 119.95(4.79) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.02 C Shift Assignments>> C :: 174.982 CA :: 50.436 CB :: 19.294 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.056 HA :: 4.570 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.535 Ave N Shift Values>> N :: 123.23(3.7) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.11 R 0.1 I 0.1 V 0.09 H 0.07 Q 0.05 K 0.04 M 0.03 P 0.02 C Shift Assignments>> C :: 177.945 CA :: 60.060 CB :: 30.473 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.091 HA :: 3.599 HB2 :: 3.140 HB3 :: 1.612 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.433 Ave N Shift Values>> N :: 119.95(4.79) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.34 C 0.27 C Shift Assignments>> C :: 174.374 CA :: 56.249 CB :: 29.003 CD2 :: 120.934 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.757 HA :: 4.765 HB2 :: 3.019 HB3 :: 2.175 HD1 :: 7.371 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.771 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.31 K 0.09 G 0.06 A 0.03 C Shift Assignments>> C :: 177.642 CA :: 55.702 CB :: 42.993 CD1 :: 26.715 CD2 :: 22.673 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.802 HA :: 4.585 HB2 :: 1.830 HB3 :: 1.751 HG :: 1.979 HD11 :: 1.181 HD12 :: 1.181 HD13 :: 1.181 HD21 :: 1.126 HD22 :: 1.126 HD23 :: 1.126 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.836 Ave N Shift Values>> N :: 121.98(4.07) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.14 W 0.11 M 0.11 V 0.1 R 0.09 E 0.07 H 0.06 Q 0.06 I 0.01 C Shift Assignments>> C :: 176.751 CA :: 58.842 CB :: 32.434 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.331 HA :: 5.077 HB2 :: 3.396 HB3 :: 3.157 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.297 Ave N Shift Values>> N :: 119.95(4.79) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 172.074 CA :: 45.752 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.620 HA2 :: 3.810 HA3 :: 3.810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.884 Ave N Shift Values>> N :: 109.91(4.29) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 174.098 CA :: 45.070 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.584 HA2 :: 4.129 HA3 :: 4.098 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.245 Ave N Shift Values>> N :: 109.91(4.29) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 H 0.14 R 0.14 C 0.14 W 0.11 K 0.1 E 0.09 Q 0.08 C Shift Assignments>> C :: 177.621 CA :: 55.378 CB :: 31.238 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.831 HA :: 4.413 HB2 :: 1.979 HB3 :: 2.057 HG2 :: 1.702 HG3 :: 1.619 HD2 :: 3.235 HD3 :: 3.323 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.756 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 C 0.25 Q 0.25 R 0.14 M 0.03 E 0.03 C Shift Assignments>> C :: 176.249 CA :: 55.665 CB :: 27.891 CG :: 33.136 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.579 HA :: 4.363 HB2 :: 2.221 HB3 :: 2.047 HG2 :: 2.560 HG3 :: 2.209 HE21 :: 7.214 HE22 :: 6.934 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.886 NE2 :: 110.827 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 K 0.16 L 0.15 F 0.15 Y 0.1 C 0.08 I 0.05 N 0.04 R 0.02 C Shift Assignments>> CB :: 41.238 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.693 HA :: 4.636 HB2 :: 3.109 HB3 :: 2.740 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.642 Ave N Shift Values>> N :: 120.73(4.2) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 177.556 CA :: 65.903 CB :: 30.065 CD :: 51.232 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.140 HB2 :: 2.136 HD2 :: 3.963 HD3 :: 3.702 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.21 C 0.16 Y 0.13 F 0.11 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 176.392 CA :: 54.520 CB :: 39.193 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.202 HA :: 4.614 HB2 :: 2.639 HB3 :: 2.735 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.662 Ave N Shift Values>> N :: 120.73(4.2) 1.K32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.32 E 0.12 M 0.1 R 0.06 C Shift Assignments>> C :: 174.980 CA :: 54.594 CB :: 33.805 CG :: 29.293(S) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.116 HA :: 4.382 HB2 :: 2.317 HB3 :: 1.830 HG2 :: 1.550 HG3 :: 1.311 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.738 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q33 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.34 K 0.14 M 0.05 L 0.01 C Shift Assignments>> C :: 176.159 CA :: 53.540 CB :: 29.296 CG :: 28.961(S) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.132 HA :: 4.493 HB2 :: 1.929 HG2 :: 2.443 HG3 :: 3.069 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.246 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.47 G 0.34 C 0.16 A 0.01 C Shift Assignments>> CA :: 53.487 CB :: 44.468 CG :: 26.280 CD1 :: 24.102 CD2 :: 24.682 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.226 HA :: 4.296 HB2 :: 0.598 HB3 :: 0.707 HG :: 0.931 HD11 :: 0.041 HD12 :: 0.041 HD13 :: 0.041 HD21 :: -0.299(S) HD22 :: -0.299(S) HD23 :: -0.299(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.242 Ave N Shift Values>> N :: 121.98(4.07) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.35 C 0.23 C Shift Assignments>> C :: 175.081 CA :: 53.093 CB :: 32.895 CG :: 31.480 CE :: 17.245 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.116 HA :: 5.427 HB2 :: 1.773 HB3 :: 1.844 HG2 :: 2.390 HG3 :: 3.029 HE1 :: 1.942 HE2 :: 1.942 HE3 :: 1.942 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.991 Ave N Shift Values>> N :: 120.1(3.88) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 V 0.18 W 0.11 K 0.1 R 0.08 M 0.07 E 0.06 H 0.05 Q 0.04 I 0.02 P 0.02 C Shift Assignments>> C :: 177.970 CA :: 59.850 CB :: 32.364 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.099 HA :: 4.757 HB2 :: 3.722 HB3 :: 2.965 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.820 Ave N Shift Values>> N :: 119.95(4.79) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 K 0.16 C 0.14 L 0.11 D 0.07 I 0.05 R 0.03 C Shift Assignments>> C :: 174.931 CA :: 57.814 CB :: 40.994 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.178 HA :: 4.620 HB2 :: 2.698 HB3 :: 1.942 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.475 Ave N Shift Values>> N :: 120.73(4.2) 1.E38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.09 I 0.08 K 0.06 Q 0.05 C Shift Assignments>> C :: 176.511 CA :: 58.534 CB :: 30.489 CG :: 35.985 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.609 HA :: 4.869 HB2 :: 2.798(S) HB3 :: 2.217 HG2 :: 2.429 HG3 :: 2.136 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.114 Ave N Shift Values>> N :: 120.68(3.68) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 P 0.14 V 0.13 C 0.13 K 0.12 R 0.07 W 0.06 H 0.05 E 0.04 Q 0.02 C Shift Assignments>> CB :: 32.123 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.537 HA :: 4.804 HB2 :: 3.223 HB3 :: 2.724 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.871 Ave N Shift Values>> N :: 119.95(4.79) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.21 L 0.21 K 0.17 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.04 C Shift Assignments>> CA :: 55.030 CB :: 41.492 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.463 HB2 :: 2.963 HB3 :: 2.462 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.32 A 0.31 V 0.01 HN Overlap>> 1.D49 1.D49 C Shift Assignments>> C :: 173.531 CA :: 54.766 CB :: 34.622 CE :: 19.734 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.096 HA :: 4.521 HB2 :: 2.456 HB3 :: 1.231 HG2 :: 2.417 HG3 :: 2.028 HE1 :: 2.075 HE2 :: 2.075 HE3 :: 2.075 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.052 Ave N Shift Values>> N :: 120.1(3.88) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 C 0.12 L 0.11 M 0.09 C Shift Assignments>> C :: 177.418 CA :: 50.034 CB :: 21.772 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.544 HA :: 5.428 HB1 :: 0.998 HB2 :: 0.998 HB3 :: 0.998 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.002 Ave N Shift Values>> N :: 123.23(3.7) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 C 0.29 F 0.29 G 0.09 C Shift Assignments>> C :: 176.914 CA :: 56.418 CB :: 43.159 CD2 :: 132.752 CZ :: 129.992 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.096 HA :: 5.152 HB2 :: 2.862 HB3 :: 2.698 HD1 :: 7.414 HE1 :: 7.389 HZ :: 7.673 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.022 Ave N Shift Values>> N :: 120.69(4.18) 1.H44 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 180.369(A) CA :: 58.792 CB :: 31.074 CD2 :: 137.809(S) CE1 :: 139.019 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.411 HA :: 4.640 HB2 :: 3.443 HB3 :: 1.385(S) HD1 :: 7.193 HD2 :: 6.115 HE1 :: 7.762 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.101 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 175.470 CA :: 65.585 CB :: 36.300 CD1 :: 13.016 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.608 HA :: 3.940 HB :: 2.181 HG12 :: 1.730 HG13 :: 1.357 HG21 :: 0.705 HG22 :: 0.705 HG23 :: 0.705 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.009 Ave N Shift Values>> N :: 121.6(4.72) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 Y 0.27 H 0.02 W 0.01 C Shift Assignments>> C :: 177.068 CA :: 54.982 CB :: 36.755 CD1 :: 134.635 CE1 :: 118.559 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.124 HA :: 4.803 HB2 :: 3.482 HB3 :: 3.057 HD1 :: 7.141 HE1 :: 6.346 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 110.679 Ave N Shift Values>> N :: 120.79(4.69) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.27 V 0.26 I 0.14 C 0.12 W 0.08 R 0.03 E 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 174.859 CA :: 62.320 CB :: 30.913 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.611 HA :: 4.521 HB2 :: 3.401 HB3 :: 2.920 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.562 Ave N Shift Values>> N :: 119.95(4.79) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.23 L 0.16 G 0.15 K 0.04 C Shift Assignments>> C :: 178.009 CA :: 55.269 CB :: 43.900 CD2 :: 27.057 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.411 HA :: 4.021 HB2 :: 1.817 HB3 :: 1.546 HG :: 1.885 HD11 :: 1.170 HD12 :: 1.170 HD13 :: 1.170 HD21 :: 0.941 HD22 :: 0.941 HD23 :: 0.941 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.045 Ave N Shift Values>> N :: 121.98(4.07) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.12 L 0.11 D 0.08 R 0.05 N 0.01 HN Overlap>> 1.M41 1.M41 C Shift Assignments>> CA :: 50.148 CB :: 43.474 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.156 HA :: 4.883 HB2 :: 2.847 HB3 :: 2.503 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.081 Ave N Shift Values>> N :: 120.73(4.2) 1.P50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 P 0.37 C 0.1 I 0.03 W 0.02 C Shift Assignments>> C :: 177.756 CA :: 63.126 CB :: 32.529 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.468 HB2 :: 2.304 HB3 :: 1.951 HD2 :: 3.862 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.26 C 0.19 A 0.11 C Shift Assignments>> C :: 177.381 CA :: 53.240 CB :: 43.893 CD1 :: 26.253 CD2 :: 22.567 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.819 HA :: 4.758 HB2 :: 1.709 HB3 :: 1.548 HG :: 1.860 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.920 Ave N Shift Values>> N :: 121.98(4.07) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.081 CA :: 59.311 CB :: 63.714 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.914 HA :: 4.367 HB2 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.231 Ave N Shift Values>> N :: 116.3(3.95) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.006 CA :: 56.612 CB :: 65.059 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.479 HA :: 4.455 HB2 :: 3.742 HB3 :: 3.831 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.875 Ave N Shift Values>> N :: 116.3(3.95) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 C Shift Assignments>> CA :: 61.284 CB :: 32.126 CG1 :: 20.859 CG2 :: 21.766 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.728 HA :: 3.865 HB :: 2.000 HG11 :: 0.885 HG12 :: 0.885 HG13 :: 0.885 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.167 Ave N Shift Values>> N :: 121.02(4.96) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 175.813 CA :: 63.409 CB :: 32.350 CG :: 27.258 CD :: 51.683 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.407 HB2 :: 2.559 HB3 :: 1.957 HG2 :: 1.903 HG3 :: 1.754 HD2 :: 3.794 HD3 :: 3.415 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.797 CA :: 58.597 CB :: 64.443 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.670 HA :: 4.412 HB2 :: 3.929 HB3 :: 3.991 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.072 Ave N Shift Values>> N :: 116.3(3.95) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.11 M 0.07 K 0.02 C Shift Assignments>> C :: 176.420 CA :: 57.835 CB :: 30.845 CG :: 37.266 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.745 HA :: 4.175 HB2 :: 2.252 HB3 :: 1.994 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.594 Ave N Shift Values>> N :: 120.68(3.68) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.17 L 0.15 Y 0.13 C 0.13 D 0.09 R 0.06 I 0.02 N 0.01 C Shift Assignments>> C :: 174.213 CA :: 57.221 CB :: 41.352 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.630 HA :: 4.330 HB2 :: 2.720 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.677 Ave N Shift Values>> N :: 120.73(4.2) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.15 H 0.11 R 0.1 W 0.08 Q 0.07 E 0.05 C Shift Assignments>> C :: 175.061 CA :: 54.365 CB :: 32.333 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.837 HA :: 4.846 HB2 :: 1.911 HB3 :: 1.880 HG2 :: 2.213 HG3 :: 2.213 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.529 Ave N Shift Values>> N :: 120.68(3.68) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.05 C Shift Assignments>> C :: 171.613 CA :: 59.719 CB :: 31.138 CD1 :: 120.436 CZ2 :: 114.152 CZ3 :: 122.546 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.168 HA :: 4.312 HB2 :: 3.153 HB3 :: 2.930 HD1 :: 7.303 HE1 :: 9.735 HE3 :: 7.116 HZ2 :: 7.072 HZ3 :: 6.053 HH2 :: 8.633 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.853 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Y 0.37 F 0.23 C Shift Assignments>> C :: 173.878 CA :: 54.847 CB :: 41.441 CD1 :: 133.404 CE2 :: 118.365 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.917 HA :: 5.233 HB2 :: 2.450 HB3 :: 2.161 HD2 :: 6.905 HE1 :: 6.672 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.789 Ave N Shift Values>> N :: 120.79(4.69) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.1 W 0.09 Y 0.08 R 0.08 K 0.08 F 0.08 Q 0.07 H 0.06 S 0.06 M 0.05 L 0.04 D 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.469 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.330 HA :: 3.494 HB2 :: 2.435 HB3 :: 2.123 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.559 Ave N Shift Values>> N :: 119.95(4.79) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.51 P 0.36 C 0.05 I 0.05 C Shift Assignments>> C :: 178.009 CA :: 65.394 CB :: 32.145 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB3 :: 1.942 HD2 :: 3.278 HD3 :: 3.260 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.14 M 0.06 K 0.01 C Shift Assignments>> C :: 177.139 CA :: 58.436 CB :: 30.814 CG :: 37.288 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.142 HA :: 4.227 HB2 :: 2.171 HG2 :: 2.467 HG3 :: 2.367 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.741 Ave N Shift Values>> N :: 120.68(3.68) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.32 V 0.29 C 0.11 I 0.11 W 0.06 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 176.671 CA :: 62.516 CB :: 31.207 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.084 HA :: 4.038 HB2 :: 2.880 HB3 :: 2.734 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.428 Ave N Shift Values>> N :: 119.95(4.79) 1.R67 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Anomalous PRTL>> R 0.42 C 0.36 K 0.11 G 0.08 L 0.01 C Shift Assignments>> C :: 175.223 CA :: 56.343 CB :: 30.723 CG :: 26.212 CD :: 43.499 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.867 HA :: 3.930 HB2 :: 1.631 HB3 :: 1.551 HG2 :: 1.482 HG3 :: 1.433 HD2 :: 3.011 HH11 :: 9.038(A) HH12 :: 9.038(A) HH21 :: 9.184(A) HH22 :: 9.184(A) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.649 NH2 :: 114.331(A) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.25 C 0.14 Y 0.07 F 0.07 L 0.06 C Shift Assignments>> C :: 173.930 CA :: 53.133 CB :: 39.437 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.216 HA :: 4.695 HB2 :: 2.761 HB3 :: 2.588 HD21 :: 7.488 HD22 :: 6.803 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.704 ND2 :: 112.962 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.14 R 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> CA :: 55.663 CB :: 42.104 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.958 HA :: 4.327 HB2 :: 2.583 HB3 :: 2.771 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.864 Ave N Shift Values>> N :: 120.73(4.2) 2.A1 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 10.189(S) HA :: 3.996 HB1 :: 1.179 HB2 :: 1.179 HB3 :: 1.179 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.210 HA :: 4.464 HB2 :: 2.030 HB3 :: 2.281 HG2 :: 1.264 HG3 :: 1.845 HD2 :: 3.719 HD3 :: 3.311 HE :: 7.413 HH11 :: 7.108 HH12 :: 7.108 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.910 HA :: 5.373 HB :: 4.736 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 2.K4 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 8.096 HA :: 4.260 HB2 :: 1.648 HB3 :: 1.769 HG2 :: 1.223 HD2 :: 0.899 HE2 :: 3.676(S) HE3 :: 3.767(S) HZ1 :: 9.271(U) HZ2 :: 9.271(U) HZ3 :: 9.271(U) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 2.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.272 HA :: 4.005 HB2 :: 1.574 HB3 :: 1.752 HG2 :: 2.179 HG3 :: 2.994 HE21 :: 7.656 HE22 :: 6.839 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 2.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.838 HA :: 5.488 HB :: 4.356 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 2.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.281 HA :: 4.318 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.941 HA :: 4.079 HB2 :: 1.786 HB3 :: 1.665 HG2 :: 1.512 HG3 :: 1.512 HD2 :: 3.064 HD3 :: 3.064 HE :: 6.425 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 2.K9 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 8.032 HA :: 4.053 HB2 :: 1.736 HB3 :: 1.620 HG2 :: 1.284 HG3 :: 1.284 HE2 :: 2.033(S) HE3 :: 2.505 HZ1 :: 9.189(U) HZ2 :: 9.189(U) HZ3 :: 9.189(U) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 2.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.296 HA :: 5.136 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 2.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.789 HA :: 5.472 HB :: 4.381 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 68 #Clerical: 0 #Suspicious: 9 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 66 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 1 C Shift Results: #Consistent: 239 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 H Shift Results: #Consistent: 461 #Duplicate: 0 #Unknown: 6 #Suspicious: 11 #Anomalous: 4 N Shift Results: #Consistent: 65 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.P3 CG = 31.628(S), Expected = 27.14, Std = 1.1800, ChiSquare = 1.4273e-04 1.P3 SRO Rule Break>> CB > CG : 0.993121238177128 1.S4 H = 10.420(S), Expected = 8.29, Std = 0.6200, ChiSquare = 5.9150e-04 1.R17 HE = 9.224(S), Expected = 7.32, Std = 0.5200, ChiSquare = 2.5071e-04 1.K32 CG = 29.293(S), Expected = 24.91, Std = 1.3100, ChiSquare = 8.2045e-04 1.Q33 Typing: Mistyped 1.Q33 CG = 28.961(S), Expected = 33.72, Std = 1.1000, ChiSquare = 1.5159e-05 1.L34 HD21 = -0.299(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.5548e-04 1.L34 HD22 = -0.299(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.5548e-04 1.L34 HD23 = -0.299(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.5548e-04 1.E38 HB2 = 2.798(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.7010e-04 1.H44 Typing: Suspicious 1.H44 C = 180.369(A), Expected = 175.19, Std = 2.1400, ChiSquare = 1.5517e-02 1.H44 CD2 = 137.809(S), Expected = 119.84, Std = 3.3000, ChiSquare = 5.1761e-08 1.H44 HB3 = 1.385(S), Expected = 3.11, Std = 0.4500, ChiSquare = 1.2642e-04 1.R67 HH11 = 9.038(A), Expected = 6.74, Std = 0.3100, ChiSquare = 1.2356e-13 1.R67 HH12 = 9.038(A), Expected = 6.75, Std = 0.3200, ChiSquare = 8.6778e-13 1.R67 HH21 = 9.184(A), Expected = 6.72, Std = 0.3200, ChiSquare = 1.3607e-14 1.R67 HH22 = 9.184(A), Expected = 6.72, Std = 0.3300, ChiSquare = 8.2252e-14 1.R67 NH2 = 114.331(A), Expected = 75.84, Std = 11.4400, ChiSquare = 7.6655e-04 2.A1 H = 10.189(S), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1643e-04 2.K4 HE2 = 3.676(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9148e-04 2.K4 HE3 = 3.767(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.8517e-05 2.K4 HZ1 = 9.271(U) 2.K4 HZ2 = 9.271(U) 2.K4 HZ3 = 9.271(U) 2.K9 HE2 = 2.033(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.2914e-06 2.K9 HZ1 = 9.189(U) 2.K9 HZ2 = 9.189(U) 2.K9 HZ3 = 9.189(U)