Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 G 0.12 K 0.11 C Shift Assignments>> C :: 173.738 CA :: 55.906 CB :: 32.143 CG :: 26.292 CD :: 43.754 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>> HA :: 4.458 HB2 :: 1.923 HB3 :: 1.746 HG2 :: 1.641 HG3 :: 1.443 HD2 :: 2.892 HD3 :: 2.869 HE :: 7.166 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>> NE :: 82.452 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.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.29 R 0.14 G 0.09 C Shift Assignments>> C :: 175.661 CA :: 54.484 CB :: 34.300 CG :: 28.605 CD :: 43.218 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 :: 8.776 HA :: 5.370 HB2 :: 1.508 HB3 :: 1.642 HG2 :: 1.462 HG3 :: 1.346 HD2 :: 3.083 HE :: 7.877 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 :: 123.994 NE :: 84.231 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.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.25 A 0.03 C Shift Assignments>> C :: 172.191 CA :: 57.881 CB :: 34.888 CG1 :: 22.506 CG2 :: 20.556 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 :: 9.006 HA :: 5.031 HB :: 1.844 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 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 :: 113.582 Ave N Shift Values>> N :: 121.02(4.96) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.3 R 0.14 M 0.01 C Shift Assignments>> C :: 176.283 CA :: 53.204 CB :: 36.354 CG :: 24.759 CD :: 29.479 CE :: 41.564 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 :: 9.091 HA :: 5.312 HB2 :: 1.595 HB3 :: 1.423 HG2 :: 1.334 HG3 :: 1.119 HD2 :: 1.563 HE2 :: 2.806 HE3 :: 2.763 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 :: 122.493 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 177.041 CA :: 61.433 CB :: 69.264 CG2 :: 22.868 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.477 HA :: 4.359 HB :: 4.479 HG1 :: 5.997 HG21 :: 0.027(S) HG22 :: 0.027(S) HG23 :: 0.027(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.186 Ave N Shift Values>> N :: 115.7(5.05) 1.I7 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>> C :: 173.303 CA :: 61.015 CB :: 38.946 CG1 :: 26.484 CG2 :: 18.201 CD1 :: 13.784 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 :: 8.988 HA :: 4.318 HB :: 1.560 HG12 :: 0.716 HG13 :: 0.469 HG21 :: 0.404 HG22 :: 0.404 HG23 :: 0.404 HD11 :: 0.495 HD12 :: 0.495 HD13 :: 0.495 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 :: 118.874 Ave N Shift Values>> N :: 121.6(4.72) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Y 0.41 G 0.15 C Shift Assignments>> C :: 173.471 CA :: 55.620 CB :: 43.179 CD1 :: 133.819 CD2 :: 133.819 CE1 :: 117.487 CE2 :: 117.487 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.439 HA :: 4.671 HB2 :: 3.058 HB3 :: 2.362 HD1 :: 6.824 HD2 :: 6.824 HE1 :: 6.622 HE2 :: 6.622 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 :: 116.652 Ave N Shift Values>> N :: 120.79(4.69) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 N 0.09 F 0.09 Y 0.07 R 0.02 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 175.592 CA :: 54.536 CB :: 41.063 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 :: 8.307 HA :: 4.556 HB2 :: 2.754 HB3 :: 2.553 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 :: 119.380 Ave N Shift Values>> N :: 120.73(4.2) 1.C10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.12 R 0.12 H 0.11 Q 0.11 K 0.09 I 0.04 M 0.04 V 0.02 C Shift Assignments>> C :: 171.991 CA :: 58.218 CB :: 29.887 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.403 HA :: 4.209 HB2 :: 1.808 HB3 :: 0.631(S) 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 :: 120.538 Ave N Shift Values>> N :: 119.95(4.79) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.22 M 0.13 E 0.06 R 0.03 C Shift Assignments>> C :: 174.397 CA :: 53.626 CB :: 29.706 CG :: 33.567 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.947 HA :: 4.464 HB2 :: 1.897 HG2 :: 2.297 HG3 :: 2.211 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 :: 129.178 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.23 L 0.08 C 0.06 C Shift Assignments>> C :: 178.124 CA :: 53.013 CB :: 20.797 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.999 HA :: 4.032 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.406 Ave N Shift Values>> N :: 123.23(3.7) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.19 D 0.15 K 0.12 C 0.1 F 0.05 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 174.992 CA :: 54.675 CB :: 42.759 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 :: 8.961 HA :: 4.693 HB2 :: 2.766 HB3 :: 2.669 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 :: 120.488 Ave N Shift Values>> N :: 120.73(4.2) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.19 C 0.12 R 0.09 D 0.09 N 0.01 F 0.01 C Shift Assignments>> C :: 175.963 CA :: 51.610 CB :: 43.878 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.037 HA :: 4.870 HB2 :: 2.587 HB3 :: 2.130 HD21 :: 8.073 HD22 :: 6.983 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 :: 114.345 ND2 :: 118.076 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.16 D 0.14 L 0.11 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 175.522 CA :: 56.634 CB :: 40.231 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 :: 8.903 HA :: 4.297 HB2 :: 2.728 HB3 :: 2.651 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 :: 119.794 Ave N Shift Values>> N :: 120.73(4.2) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.22 C 0.14 Y 0.05 F 0.05 L 0.04 C Shift Assignments>> C :: 176.419 CA :: 52.334 CB :: 39.224 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 :: 8.153 HA :: 4.670 HB2 :: 3.030 HB3 :: 2.526 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 :: 116.091 Ave N Shift Values>> N :: 120.73(4.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 H 0.13 R 0.13 K 0.11 W 0.1 E 0.08 Q 0.07 C Shift Assignments>> C :: 175.313 CA :: 54.888 CB :: 31.539 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 :: 7.662 HA :: 4.869 HB2 :: 2.284 HB3 :: 2.137 HG2 :: 2.243 HG3 :: 2.054 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.018 Ave N Shift Values>> N :: 120.68(3.68) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.25 C 0.21 A 0.03 R 0.01 C Shift Assignments>> C :: 175.398 CA :: 54.119 CB :: 45.635 CG :: 27.187 CD1 :: 23.298 CD2 :: 25.435 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 :: 8.203 HA :: 4.444 HB2 :: 1.737 HB3 :: 1.034 HG :: 1.537 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.599 HD22 :: 0.599 HD23 :: 0.599 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 :: 122.907 Ave N Shift Values>> N :: 121.98(4.07) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 2.I2 2.I2 C Shift Assignments>> C :: 174.266 CA :: 61.595 CB :: 70.169 CG2 :: 22.234 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.377 HA :: 4.668 HB :: 3.966 HG21 :: 1.335 HG22 :: 1.335 HG23 :: 1.335 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.904 Ave N Shift Values>> N :: 115.7(5.05) 1.F20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 F 0.09 Y 0.02 C Shift Assignments>> C :: 174.652 CA :: 55.876 CB :: 40.173 CD1 :: 133.497 CD2 :: 133.497 CE1 :: 133.405(A) CE2 :: 133.405(A) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.904 HA :: 4.707 HB2 :: 3.473 HB3 :: 2.777 HD1 :: 6.688 HD2 :: 6.688 HE1 :: 7.247 HE2 :: 7.247 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 :: 121.901 Ave N Shift Values>> N :: 120.69(4.18) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 G 0.01 C Shift Assignments>> C :: 177.018 CA :: 59.425 CB :: 41.958 CG2 :: 17.650 CD1 :: 13.945 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 :: 9.389 HA :: 5.071 HB :: 2.016 HG12 :: 1.277 HG13 :: 0.970 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 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 :: 116.291 Ave N Shift Values>> N :: 121.6(4.72) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.28 K 0.15 Q 0.14 I 0.05 M 0.05 C Shift Assignments>> C :: 175.797 CA :: 58.112 CB :: 29.569 CG :: 35.279 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 :: 8.880 HA :: 3.432 HB2 :: 1.848 HB3 :: 1.595 HG2 :: 2.054 HG3 :: 1.860 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 :: 123.254 Ave N Shift Values>> N :: 120.68(3.68) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.377 CA :: 45.435 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.259 HA2 :: 4.120 HA3 :: 3.453 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.797 Ave N Shift Values>> N :: 109.91(4.29) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.21 I 0.08 M 0.05 C Shift Assignments>> C :: 173.655 CA :: 56.935 CB :: 31.647 CG :: 38.545 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 :: 8.019 HA :: 4.392 HB2 :: 1.951 HB3 :: 1.811 HG2 :: 2.584 HG3 :: 1.795 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.530 Ave N Shift Values>> N :: 120.68(3.68) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 2.S4 2.S4 C Shift Assignments>> C :: 174.933 CA :: 61.034 CB :: 33.258 CG1 :: 21.441 CG2 :: 21.541 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 :: 8.519 HA :: 4.844 HB :: 1.849 HG11 :: 0.725 HG12 :: 0.725 HG13 :: 0.725 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.223 Ave N Shift Values>> N :: 121.02(4.96) 1.I26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 174.928 CA :: 58.974 CB :: 40.884 CG2 :: 17.116 CD1 :: 13.193 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 :: 8.855 HA :: 4.225 HB :: 0.842 HG12 :: 0.725 HG13 :: -0.095(S) HG21 :: 0.120 HG22 :: 0.120 HG23 :: 0.120 HD11 :: -0.969(S) HD12 :: -0.969(S) HD13 :: -0.969(S) 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 :: 127.242 Ave N Shift Values>> N :: 121.6(4.72) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.38 A 0.01 C Shift Assignments>> C :: 175.081 CA :: 58.649 CB :: 36.326 CG2 :: 17.180 CD1 :: 11.903 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 :: 8.964 HA :: 4.217 HB :: 0.863 HG12 :: 1.300 HG13 :: 1.021 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 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 :: 126.748 Ave N Shift Values>> N :: 121.6(4.72) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> 2.I3 2.I3 C Shift Assignments>> C :: 177.159 CA :: 63.605 CB :: 32.230 CG1 :: 21.761 CG2 :: 23.834 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 :: 8.524 HA :: 4.310 HB :: 1.938 HG11 :: 0.979 HG12 :: 0.979 HG13 :: 0.979 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 127.299 Ave N Shift Values>> N :: 121.02(4.96) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.762 CA :: 61.404 CB :: 69.351 CG2 :: 21.177 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.736 HA :: 4.523 HB :: 4.406 HG21 :: 1.265 HG22 :: 1.265 HG23 :: 1.265 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 115.7(5.05) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 170.163 CA :: 45.316 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.068 HA2 :: 4.055 HA3 :: 3.880 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.915 Ave N Shift Values>> N :: 109.91(4.29) 1.E31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.36 C 0.34 Q 0.14 E 0.12 K 0.02 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 175.251 CA :: 55.483 CB :: 32.349 CG :: 34.290 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 :: 8.547 HA :: 4.663 HB2 :: 1.871 HB3 :: 1.637 HG2 :: 1.535(S) HG3 :: 1.073(S) 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 :: 116.278 Ave N Shift Values>> N :: 120.68(3.68) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 I 0.21 M 0.03 C Shift Assignments>> C :: 176.125 CA :: 58.896 CB :: 30.824 CG :: 37.803 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 :: 8.964 HA :: 4.365 HB2 :: 2.155 HB3 :: 1.890 HG2 :: 2.049 HG3 :: 1.883 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.595 Ave N Shift Values>> N :: 120.68(3.68) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.25 C 0.13 L 0.1 F 0.09 Y 0.09 K 0.02 C Shift Assignments>> C :: 174.934 CA :: 53.850 CB :: 39.907 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 :: 9.075 HA :: 4.477 HB2 :: 3.200 HB3 :: 3.137 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 :: 119.226 Ave N Shift Values>> N :: 120.73(4.2) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.22 E 0.15 R 0.04 I 0.02 M 0.02 C Shift Assignments>> C :: 176.731 CA :: 57.976 CB :: 28.752 CG :: 34.256 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.272 HA :: 4.446 HB2 :: 2.164 HB3 :: 2.121 HG2 :: 2.459 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 :: 111.481 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.31 M 0.16 I 0.03 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 176.391 CA :: 56.556 CB :: 32.023 CG :: 37.042 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 :: 8.584 HA :: 4.111 HB2 :: 2.216 HB3 :: 1.813 HG2 :: 2.174 HG3 :: 2.091 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 :: 116.210 Ave N Shift Values>> N :: 120.68(3.68) 1.W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 W 0.45 H 0.07 C Shift Assignments>> C :: 174.450 CA :: 56.540 CB :: 30.905 CD1 :: 127.908 CE3 :: 120.360 CZ2 :: 114.325 CZ3 :: 120.095 CH2 :: 124.841 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.165 HA :: 4.957 HB2 :: 2.916 HB3 :: 2.688 HD1 :: 7.527 HE1 :: 9.069 HE3 :: 7.092 HZ2 :: 7.551 HZ3 :: 6.638 HH2 :: 7.138 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 :: 123.895 NE1 :: 127.838 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 W 0.23 C Shift Assignments>> C :: 171.938 CA :: 52.670 CB :: 33.831 CD1 :: 123.789 CE3 :: 120.008 CZ2 :: 115.162 CZ3 :: 119.878 CH2 :: 124.310 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.461 HA :: 5.270 HB2 :: 3.178 HB3 :: 2.176 HD1 :: 7.424 HE1 :: 9.366 HE3 :: 7.376 HZ2 :: 7.381 HZ3 :: 6.794 HH2 :: 7.098 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 :: 126.191 NE1 :: 127.619 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 C Shift Assignments>> C :: 175.966 CA :: 60.661 CB :: 41.532 CG2 :: 17.710 CD1 :: 14.121 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 :: 8.310 HA :: 4.782 HB :: 1.089 HG12 :: 1.224 HG13 :: 0.925 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 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 :: 118.586 Ave N Shift Values>> N :: 121.6(4.72) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.22 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 170.561 CA :: 47.380 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.870 HA2 :: 4.796 HA3 :: 4.546 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.060 Ave N Shift Values>> N :: 109.91(4.29) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 W 0.16 H 0.1 C Shift Assignments>> C :: 173.168 CA :: 53.268 CB :: 33.757 CD2 :: 124.747 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 :: 8.321 HA :: 5.851 HB2 :: 3.296 HB3 :: 2.976 HD2 :: 6.766 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 :: 113.373 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.04 A 0.01 C Shift Assignments>> C :: 178.059 CA :: 58.514 CB :: 35.252 CG1 :: 25.873 CG2 :: 16.071 CD1 :: 8.672 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 :: 8.389 HA :: 4.217 HB :: 2.366 HG12 :: 1.643 HG13 :: 1.248 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 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 :: 122.663 Ave N Shift Values>> N :: 121.6(4.72) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.19 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 176.745 CA :: 58.865 CB :: 29.745 CG :: 36.743 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 :: 9.259 HA :: 3.901 HB2 :: 2.041 HB3 :: 1.606 HG2 :: 2.112 HG3 :: 2.024 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 :: 132.666 Ave N Shift Values>> N :: 120.68(3.68) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.860 CA :: 44.996 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.433 HA2 :: 4.389 HA3 :: 3.723 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.827 Ave N Shift Values>> N :: 109.91(4.29) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 M 0.22 K 0.14 E 0.07 R 0.01 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> CA :: 53.655 CB :: 30.423 CG :: 33.782 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.253 HA :: 4.845 HB2 :: 2.049 HB3 :: 1.701 HG2 :: 2.326 HG3 :: 2.205 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 :: 119.433 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.477 CA :: 64.304 CB :: 31.400 CG :: 27.165 CD :: 49.899 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 :: 3.880 HB2 :: 1.612 HG2 :: 1.820 HG3 :: 1.769 HD2 :: 3.608 HD3 :: 3.293 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.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.28 K 0.13 I 0.1 Q 0.07 R 0.01 C Shift Assignments>> C :: 177.822 CA :: 57.369 CB :: 27.919 CG :: 35.988 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 :: 9.191 HA :: 4.183 HB2 :: 2.067 HB3 :: 1.921 HG2 :: 2.327 HG3 :: 2.150 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 :: 116.928 Ave N Shift Values>> N :: 120.68(3.68) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.34 G 0.22 L 0.04 K 0.03 C Shift Assignments>> C :: 172.257 CA :: 55.792 CB :: 29.743 CG :: 26.502 CD :: 44.318 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 :: 8.397 HA :: 4.490 HB2 :: 1.950 HB3 :: 1.915 HG2 :: 1.664 HG3 :: 1.681 HD2 :: 3.405 HD3 :: 3.039 HE :: 7.789 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 :: 124.379 NE :: 83.757 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.21 A 0.07 R 0.05 M 0.04 G 0.02 HN Overlap>> 2.K15 2.K15 C Shift Assignments>> C :: 174.949 CA :: 53.710 CB :: 36.322 CG :: 23.193 CD :: 29.443 CE :: 41.978 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 :: 7.830 HA :: 5.576 HB2 :: 1.949 HB3 :: 1.775 HG2 :: 1.305 HD2 :: 1.612 HE2 :: 2.930 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 :: 120.344 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.138 CA :: 45.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.149 HA2 :: 4.313 HA3 :: 4.106 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.761 Ave N Shift Values>> N :: 109.91(4.29) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 178.209 CA :: 61.255 CB :: 33.473 CG1 :: 22.469 CG2 :: 22.130 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 :: 8.751 HA :: 5.332 HB :: 1.830 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 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 :: 118.762 Ave N Shift Values>> N :: 121.02(4.96) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.19 K 0.15 C 0.11 F 0.1 Y 0.09 N 0.05 R 0.04 C Shift Assignments>> CA :: 55.223 CB :: 41.197 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 :: 9.859 HA :: 5.692 HD1 :: 6.879 HD2 :: 6.879 HE1 :: 7.276 HE2 :: 7.276 HZ :: 6.796 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 :: 125.730 Ave N Shift Values>> N :: 120.69(4.18) 1.P52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 177.959 CA :: 60.938 CB :: 29.768 CG :: 26.638 CD :: 50.828 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 :: 3.819 HB2 :: 1.495 HB3 :: 0.729(S) HG2 :: 1.162 HG3 :: 0.859 HD2 :: 3.933 HD3 :: 3.523 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.V53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.89 C 0.09 C Shift Assignments>> C :: 177.357 CA :: 64.845 CB :: 31.467 CG1 :: 20.166 CG2 :: 20.723 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.799 HA :: 2.997 HB :: 1.058 HG11 :: -0.041 HG12 :: -0.041 HG13 :: -0.041 HG21 :: -0.663(S) HG22 :: -0.663(S) HG23 :: -0.663(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.475 Ave N Shift Values>> N :: 121.02(4.96) 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 :: 175.318 CA :: 59.350 CB :: 63.087 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.651 HA :: 4.182 HB2 :: 4.058 HB3 :: 3.830 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.844 Ave N Shift Values>> N :: 116.3(3.95) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 C 0.32 Y 0.27 C Shift Assignments>> C :: 175.276 CA :: 57.724 CB :: 38.835 CD1 :: 131.005 CD2 :: 131.005 CE1 :: 131.410 CE2 :: 131.410 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 :: 7.939 HA :: 4.795 HB2 :: 3.780 HB3 :: 3.522 HD1 :: 7.398 HD2 :: 7.398 HE1 :: 7.113 HE2 :: 7.113 HZ :: 7.123 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 :: 121.145 Ave N Shift Values>> N :: 120.69(4.18) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.07 A 0.02 I 0.01 C Shift Assignments>> C :: 173.422 CA :: 58.651 CB :: 35.678 CG1 :: 20.576 CG2 :: 17.748 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.830 HA :: 5.302 HB :: 1.726 HG11 :: 0.502 HG12 :: 0.502 HG13 :: 0.502 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 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 :: 111.306 Ave N Shift Values>> N :: 121.02(4.96) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 H 0.3 W 0.21 C Shift Assignments>> C :: 174.702 CA :: 53.197 CB :: 32.983 CD2 :: 120.054 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 :: 9.053 HA :: 4.986 HB2 :: 2.859 HB3 :: 2.824 HD2 :: 6.791 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 :: 117.638 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 175.519 CA :: 62.729 CB :: 38.066 CG1 :: 28.558 CG2 :: 17.671 CD1 :: 13.371 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 :: 8.881 HA :: 3.920 HB :: 1.761 HG12 :: 1.668 HG13 :: 1.215 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 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 :: 126.154 Ave N Shift Values>> N :: 121.6(4.72) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.25 R 0.19 C 0.14 G 0.01 C Shift Assignments>> C :: 176.911 CA :: 54.179 CB :: 42.293 CD1 :: 25.702 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 :: 8.209 HA :: 4.523 HB2 :: 1.548 HB3 :: 1.407 HG :: 0.956 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 128.725 Ave N Shift Values>> N :: 121.98(4.07) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.409 CA :: 57.818 CB :: 64.068 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.645 HA :: 4.520 HB2 :: 3.902 HB3 :: 3.817 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 :: 118.095 Ave N Shift Values>> N :: 116.3(3.95) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.986 CA :: 54.459 CB :: 40.987 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 :: 8.619 HA :: 4.607 HB2 :: 2.720 HB3 :: 2.656 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 :: 122.866 Ave N Shift Values>> N :: 120.73(4.2) 2.C1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 R 0.14 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.1 I 0.06 L 0.05 M 0.01 C Shift Assignments>> C :: 173.392 CA :: 57.694 CB :: 28.175 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.265 HB2 :: 2.555 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 :: 122.537 Ave N Shift Values>> N :: 119.95(4.79) 2.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.T19 2.K16 1.T19 2.K16 C Shift Assignments>> C :: 176.008 CA :: 60.956 CB :: 38.462 CG1 :: 27.335 CG2 :: 17.299 CD1 :: 12.749 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 :: 8.360 HA :: 3.994 HB :: 1.717 HG12 :: 1.425 HG13 :: 1.074 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.996 Ave N Shift Values>> N :: 121.6(4.72) 2.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 176.126 CA :: 60.724 CB :: 38.440 CG1 :: 27.150 CG2 :: 17.595 CD1 :: 12.626 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 :: 8.523 HA :: 4.154 HB :: 1.810 HG12 :: 1.418 HG13 :: 1.062 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 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 :: 127.292 Ave N Shift Values>> N :: 121.6(4.72) 2.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 173.862 CA :: 57.861 CB :: 64.002 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.521 HA :: 4.461 HB2 :: 3.789 HB3 :: 3.773 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.329 Ave N Shift Values>> N :: 116.3(3.95) 2.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 C Shift Assignments>> C :: 176.385 CA :: 51.936 CB :: 19.404 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.208 HA :: 4.236 HB1 :: 1.235 HB2 :: 1.235 HB3 :: 1.235 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.929 Ave N Shift Values>> N :: 123.23(3.7) 2.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.32 A 0.3 C Shift Assignments>> CA :: 53.414 CB :: 30.328 CG :: 32.845 CE :: 16.599 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 :: 8.342 HA :: 3.396 HB2 :: 2.268 HB3 :: 1.637 HG2 :: 1.649 HG3 :: 1.551 HE1 :: 2.016 HE2 :: 2.016 HE3 :: 2.016 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 :: 122.308 Ave N Shift Values>> N :: 120.1(3.88) 2.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.476 CA :: 62.033 CB :: 31.897 CG :: 26.204 CD :: 50.396 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 :: 4.251 HB2 :: 1.736 HB3 :: 1.458 HG2 :: 1.328 HG3 :: 1.204 HD2 :: 3.011 HD3 :: 2.344 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) 2.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.959 CA :: 61.660 CB :: 70.144 CG2 :: 21.433 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.305 HA :: 4.233 HB :: 3.927 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.363 Ave N Shift Values>> N :: 115.7(5.05) 2.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.31 R 0.29 M 0.01 C Shift Assignments>> C :: 176.770 CA :: 56.931 CB :: 33.770 CG :: 26.309 CD :: 29.898 CE :: 41.894 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 :: 9.075 HA :: 4.157 HB2 :: 1.931 HB3 :: 1.761 HG2 :: 1.429 HG3 :: 1.002 HD2 :: 1.793 HD3 :: 1.715 HE2 :: 2.943 HE3 :: 2.509 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 :: 127.610 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.635 CA :: 57.877 CB :: 64.061 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.910 HA :: 4.504 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 :: 121.001 Ave N Shift Values>> N :: 116.3(3.95) 2.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.069 CA :: 58.989 CB :: 63.461 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.754 HA :: 4.299 HB2 :: 3.796 HB3 :: 3.746 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 :: 117.856 Ave N Shift Values>> N :: 116.3(3.95) 2.R12 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.49 K 0.39 L 0.05 R 0.04 C Shift Assignments>> C :: 177.082 CA :: 54.903 CB :: 30.190 CG :: 24.437 CD :: 40.634 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 :: 8.634 HA :: 4.060 HB2 :: 1.361 HB3 :: 1.020 HG2 :: 0.581(S) HG3 :: -0.057(S) HD2 :: 1.534(S) HD3 :: 0.468(A) HE :: 7.799 HH11 :: 9.647(A) HH12 :: 6.420 HH21 :: 9.663(A) HH22 :: 6.420 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.800 NE :: 82.181 NH1 :: 76.808 NH2 :: 75.327 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) (HD3 > HG2 : 0.9974) 2.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.03 C Shift Assignments>> C :: 176.900 CA :: 56.837 CB :: 32.593 CG :: 24.715 CD :: 28.820 CE :: 41.704 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 :: 9.040 HA :: 4.025 HB2 :: 1.726 HG2 :: 1.386 HG3 :: 1.350 HD2 :: 1.640 HE2 :: 2.933 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 :: 124.313 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.553 CA :: 52.340 CB :: 18.842 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.581 HA :: 4.172 HB1 :: 1.248 HB2 :: 1.248 HB3 :: 1.248 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.601 Ave N Shift Values>> N :: 123.23(3.7) 2.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.17 M 0.03 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 176.389 CA :: 55.592 CB :: 32.761 CG :: 24.496 CD :: 28.601 CE :: 41.691 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 :: 7.892 HA :: 4.147 HB2 :: 1.667 HB3 :: 1.562 HG2 :: 1.281 HG3 :: 1.235 HD2 :: 1.496 HE2 :: 2.820 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 :: 120.342 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.4 M 0.04 HN Overlap>> 2.I2 2.I2 C Shift Assignments>> CA :: 54.121 CB :: 32.173 CG :: 24.522 CD :: 28.883 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 :: 8.402 HA :: 4.482 HB2 :: 1.732 HB3 :: 1.632 HG2 :: 1.405 HG3 :: 1.365 HD2 :: 1.605 HE2 :: 2.891 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 :: 125.078 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.510 CA :: 62.835 CB :: 32.029 CG :: 27.245 CD :: 50.525 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 :: 4.309 HB2 :: 2.227 HB3 :: 1.810 HG2 :: 1.928 HD2 :: 3.751 HD3 :: 3.550 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) 2.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.752 CA :: 52.375 CB :: 19.049 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.554 HA :: 4.174 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.800 Ave N Shift Values>> N :: 123.23(3.7) 2.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.24 C 0.24 M 0.08 E 0.08 R 0.05 C Shift Assignments>> C :: 175.965 CA :: 55.557 CB :: 29.398 CG :: 33.516 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.518 HA :: 4.260 HB2 :: 2.005 HB3 :: 1.916 HG2 :: 2.288 HG3 :: 2.214 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 :: 120.579 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 1 C Shift Results: #Consistent: 339 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 525 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 3 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T6 HG21 = 0.027(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.2005e-05 1.T6 HG22 = 0.027(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.2005e-05 1.T6 HG23 = 0.027(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.2005e-05 1.C10 HB3 = 0.631(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.7892e-07 1.F20 CE1 = 133.405(A), Expected = 130.48, Std = 1.2900, ChiSquare = 2.3363e-02 1.F20 CE2 = 133.405(A), Expected = 130.60, Std = 0.9700, ChiSquare = 3.8310e-03 1.I26 HG13 = -0.095(S), Expected = 1.24, Std = 0.4000, ChiSquare = 8.4536e-04 1.I26 HD11 = -0.969(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.6467e-08 1.I26 HD12 = -0.969(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.6467e-08 1.I26 HD13 = -0.969(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.6467e-08 1.E31 HG2 = 1.535(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.2383e-04 1.E31 HG3 = 1.073(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.8508e-09 1.P52 HB3 = 0.729(S), Expected = 2.05, Std = 0.3900, ChiSquare = 7.0615e-04 1.V53 HG21 = -0.663(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.6289e-07 1.V53 HG22 = -0.663(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.6289e-07 1.V53 HG23 = -0.663(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.6289e-07 2.R12 HG2 = 0.581(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.1560e-04 2.R12 HG3 = -0.057(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.3364e-09 2.R12 HD2 = 1.534(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.9452e-12 2.R12 HD3 = 0.468(A), Expected = 3.13, Std = 0.2200, ChiSquare = 1.0561e-33 2.R12 HH11 = 9.647(A), Expected = 6.74, Std = 0.3100, ChiSquare = 6.7607e-21 2.R12 HH21 = 9.663(A), Expected = 6.72, Std = 0.3200, ChiSquare = 3.6851e-20 2.R12 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 2.R12 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 2.R12 SRO Rule Break>> HD3 > HG2 : 0.997402597402597