Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.289 CA :: 61.612 CB :: 69.757 CG2 :: 21.489 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.578 HB :: 4.394 HG21 :: 1.324 HG22 :: 1.324 HG23 :: 1.324 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.33 R 0.1 A 0.01 G 0.01 C Shift Assignments>> C :: 176.783 CA :: 55.861 CB :: 42.323 CG :: 27.468 CD1 :: 23.205 CD2 :: 25.411 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.531 HA :: 4.455 HB2 :: 1.879 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.259 Ave N Shift Values>> N :: 121.86(3.9) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.33 R 0.3 C Shift Assignments>> C :: 176.178 CA :: 55.209 CB :: 35.040 CG :: 25.979 CD :: 29.938 CE :: 42.028 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.846 HA :: 5.179 HB2 :: 1.789 HG2 :: 1.281 HD2 :: 1.623 HE2 :: 2.913 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.701 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 169.934 CA :: 45.132 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.705 HA2 :: 3.544 HA3 :: 3.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.000 Ave N Shift Values>> N :: 109.67(3.87) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.21 C 0.09 C Shift Assignments>> C :: 176.485 CA :: 50.894 CB :: 22.015 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.982 HA :: 5.130 HB1 :: 0.919 HB2 :: 0.919 HB3 :: 0.919 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.496 Ave N Shift Values>> N :: 123.23(3.54) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.35 L 0.23 A 0.01 C Shift Assignments>> C :: 174.224 CA :: 54.306 CB :: 47.016 CD1 :: 25.309 CD2 :: 24.444 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.735 HA :: 4.812 HB2 :: 1.716 HG :: 1.536 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.648 Ave N Shift Values>> N :: 121.86(3.9) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 173.345 CA :: 56.716 CB :: 66.550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.848 HA :: 5.670 HB3 :: 3.563 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.566 Ave N Shift Values>> N :: 116.28(3.52) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.25 I 0.02 C Shift Assignments>> C :: 171.764 CA :: 60.359 CB :: 36.062 CG1 :: 21.214 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.380 HA :: 4.734 HB :: 2.261 HG11 :: 1.270 HG12 :: 1.270 HG13 :: 1.270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.452 Ave N Shift Values>> N :: 121.14(4.54) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.35 R 0.24 G 0.03 C Shift Assignments>> C :: 175.540 CA :: 54.282 CB :: 35.199 CG :: 25.118 CD :: 29.901 CE :: 42.581 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.270 HA :: 5.509 HB2 :: 1.766 HG2 :: 1.394 HD2 :: 1.569 HE2 :: 2.856 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.159 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.17 C 0.11 L 0.11 N 0.08 I 0.03 K 0.01 HN Overlap>> 1.F110 1.F110 C Shift Assignments>> C :: 171.021 CA :: 56.245 CB :: 39.769 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.558 HA :: 4.862 HB2 :: 3.036 HB3 :: 3.333 HD1 :: 6.903 HD2 :: 6.903 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.798 Ave N Shift Values>> N :: 120.45(4.18) 1.D12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.18 G 0.08 K 0.04 C 0.04 F 0.03 N 0.03 Y 0.01 C Shift Assignments>> C :: 176.292 CA :: 52.554 CB :: 43.067 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.524 HA :: 5.797(S) HB3 :: 2.551 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.365 Ave N Shift Values>> N :: 120.65(3.86) 1.V13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.96 V 0.02 C Shift Assignments>> C :: 176.354 CA :: 59.036 CB :: 33.633 CG1 :: 17.350 CG2 :: 22.054 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.875 HA :: 4.594 HB :: 2.111 HG11 :: -0.096(S) HG12 :: -0.096(S) HG13 :: -0.096(S) HG21 :: 0.558 HG22 :: 0.558 HG23 :: 0.558 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.225 Ave N Shift Values>> N :: 121.14(4.54) 1.K14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 178.383 CA :: 58.199 CB :: 33.579 CG :: 26.214 CD :: 29.139 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.791(S) HA :: 4.158 HB2 :: 1.818 HB3 :: 1.999 HG2 :: 1.449 HD3 :: 1.651 HE2 :: 3.003 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.704 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 I 0.15 W 0.14 K 0.11 E 0.09 Q 0.09 R 0.08 H 0.07 L 0.02 C Shift Assignments>> CA :: 59.318 CB :: 28.324 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.429 HA :: 4.466 HB2 :: 2.792 HB3 :: 3.105 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.034 Ave N Shift Values>> N :: 120.17(4.64) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 178.138 CA :: 62.479 CB :: 33.149 CG :: 28.071 CD :: 51.387 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.608 HB2 :: 2.543 HG3 :: 2.122 HD2 :: 3.705 HD3 :: 3.984 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.32 C 0.07 I 0.07 V 0.03 L 0.01 C Shift Assignments>> C :: 179.233 CA :: 56.237 CB :: 19.132 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.661 HA :: 3.897 HB1 :: 1.193 HB2 :: 1.193 HB3 :: 1.193 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.563 Ave N Shift Values>> N :: 123.23(3.54) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.14 D 0.1 L 0.07 I 0.06 N 0.05 C Shift Assignments>> C :: 178.743 CA :: 57.022 CB :: 39.368 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.763 HA :: 4.268 HB3 :: 2.782 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.193 Ave N Shift Values>> N :: 120.65(3.86) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.48 C Shift Assignments>> C :: 178.443 CA :: 58.479 CB :: 33.462 CG :: 25.339 CD :: 29.268 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.557 HA :: 4.141 HB2 :: 1.771 HG2 :: 1.452 HD2 :: 1.667 HE2 :: 2.988 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.644 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 F 0.15 C 0.14 Y 0.14 C Shift Assignments>> C :: 176.044 CA :: 62.591 CB :: 40.013 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.670 HA :: 4.025 HB2 :: 2.773 HB3 :: 3.056 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 7.578 HE2 :: 7.578 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.674 Ave N Shift Values>> N :: 120.45(4.18) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.14 F 0.14 Y 0.12 HN Overlap>> 1.S55 1.S55 C Shift Assignments>> C :: 176.842 CA :: 62.921 CB :: 40.073 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.741 HA :: 4.082 HB3 :: 3.233 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 7.249 HE2 :: 7.249 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.997 Ave N Shift Values>> N :: 120.45(4.18) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.688 CA :: 62.614 CB :: 62.435 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.109 HA :: 3.964 HB2 :: 3.986 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.501 Ave N Shift Values>> N :: 116.28(3.52) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.31 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 179.982 CA :: 54.754 CB :: 19.064 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.664 HA :: 4.044 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.726 Ave N Shift Values>> N :: 123.23(3.54) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 F 0.03 R 0.02 Y 0.01 C Shift Assignments>> C :: 177.821 CA :: 59.517 CB :: 45.256 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.762 HA :: 4.388 HB2 :: 3.872 HD1 :: 7.330 HD2 :: 7.330 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.899 Ave N Shift Values>> N :: 120.45(4.18) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 177.674 CA :: 66.397 CB :: 31.808 CG1 :: 21.401 CG2 :: 22.648 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.078 HA :: 2.799 HB :: 1.850 HG11 :: 0.702 HG12 :: 0.702 HG13 :: 0.702 HG21 :: 0.423 HG22 :: 0.423 HG23 :: 0.423 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.404 Ave N Shift Values>> N :: 121.14(4.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.36 M 0.08 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.626 CA :: 56.873 CB :: 30.224 CG :: 36.588 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.485 HA :: 4.032 HB2 :: 2.054 HG2 :: 2.220 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.785 Ave N Shift Values>> N :: 120.67(3.48) 1.D27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.489 HA :: 5.306 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.034 Ave N Shift Values>> N :: 120.65(3.86) 1.T28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 F 0.14 Y 0.11 K 0.09 N 0.08 C 0.07 I 0.01 C Shift Assignments>> C :: 176.607 CA :: 55.346 CB :: 40.813 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.277 HB2 :: 2.707 HB3 :: 2.980 HD21 :: 6.910 HD22 :: 7.764 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.574 ND2 :: 115.496 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.955 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.818 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P31 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.73 C 0.19 W 0.02 R 0.01 C Shift Assignments>> C :: 175.619 CA :: 63.553 CB :: 27.255(S) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.829 HB3 :: 2.116 HG2 :: 1.284 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F32 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 E 0.1 R 0.09 I 0.08 V 0.08 H 0.08 Q 0.05 K 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 178.151 CA :: 60.245 CB :: 30.236(S) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.686 HA :: 4.127 HB2 :: 3.172 HD1 :: 7.279 HD2 :: 7.279 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.411 Ave N Shift Values>> N :: 120.45(4.18) 1.E33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.968 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.825 Ave N Shift Values>> N :: 120.67(3.48) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 176.925 CA :: 57.561 CB :: 32.008 CG :: 24.912 CD :: 29.162 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.016 HB3 :: 1.807 HG3 :: 1.421 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.23 F 0.1 Y 0.1 C 0.09 L 0.08 C Shift Assignments>> C :: 174.929 CA :: 53.932 CB :: 39.300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.324 HA :: 4.729 HB3 :: 2.882 HD21 :: 7.624 HD22 :: 7.056 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.387 ND2 :: 114.653 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.178 CA :: 45.455 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.745 HA2 :: 4.232 HA3 :: 4.235 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.184 Ave N Shift Values>> N :: 109.67(3.87) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 Q 0.2 C 0.2 K 0.15 E 0.09 H 0.03 R 0.02 W 0.01 Y 0.01 V 0.01 C Shift Assignments>> CA :: 55.777 CB :: 34.554 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.400 HA :: 4.627 HB2 :: 1.806 HE2 :: 2.923 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.024 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 174.093 CA :: 60.372 CB :: 71.580 CG2 :: 21.439 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.885 HB :: 3.540 HG21 :: 0.518 HG22 :: 0.518 HG23 :: 0.518 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.21 E 0.09 C Shift Assignments>> C :: 175.364 CA :: 54.745 CB :: 33.929 CG :: 36.366 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.481 HA :: 4.713 HB2 :: 1.930 HG2 :: 2.182 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.385 Ave N Shift Values>> N :: 120.67(3.48) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.826 CA :: 62.614 CB :: 38.117 CG2 :: 17.974 CD1 :: 10.620 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.161 HA :: 4.159 HB :: 1.904 HG12 :: 1.429 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.256 Ave N Shift Values>> N :: 121.46(4.28) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.31 M 0.17 C Shift Assignments>> C :: 175.861 CA :: 57.422 CB :: 32.022 CG :: 36.797 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.818 HA :: 4.378 HB2 :: 2.037 HB3 :: 1.865 HG3 :: 2.226 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 131.744 Ave N Shift Values>> N :: 120.67(3.48) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.31 C 0.13 K 0.03 C Shift Assignments>> C :: 174.671 CA :: 51.874 CB :: 22.767 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.852 HA :: 4.641 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.646 Ave N Shift Values>> N :: 123.23(3.54) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 C Shift Assignments>> C :: 172.718 CA :: 61.376 CB :: 34.702 CG1 :: 18.913 CG2 :: 22.444 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.535 HA :: 4.932 HB :: 2.198 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.326 Ave N Shift Values>> N :: 121.14(4.54) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 R 0.16 K 0.08 C 0.04 F 0.04 N 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 172.718 CA :: 53.177 CB :: 42.724 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.827 HA :: 4.929 HB2 :: 2.262 HB3 :: 3.312 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.593 Ave N Shift Values>> N :: 120.65(3.86) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.42 R 0.11 G 0.01 C Shift Assignments>> C :: 178.144 CA :: 57.315 CB :: 42.278 CG :: 27.757 CD1 :: 23.345 CD2 :: 25.345 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.072 HA :: 4.261 HB2 :: 1.797 HG :: 1.923 HD11 :: 1.110 HD12 :: 1.110 HD13 :: 1.110 HD21 :: 1.078 HD22 :: 1.078 HD23 :: 1.078 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.551 Ave N Shift Values>> N :: 121.86(3.9) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.12 C Shift Assignments>> C :: 178.350 CA :: 65.267 CB :: 32.232 CG1 :: 20.904 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.224 HA :: 3.824 HB :: 0.950 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.195 Ave N Shift Values>> N :: 121.14(4.54) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 175.803 CA :: 56.670 CB :: 32.927 CG :: 26.113 CD :: 29.031 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.998 HA :: 4.009 HB2 :: 1.443 HB3 :: 1.820 HD2 :: 1.591 HE2 :: 2.944 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.456 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K48 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 L 0.38 K 0.07 R 0.04 HN Overlap>> 1.E115 1.E115 C Shift Assignments>> C :: 173.852 CA :: 55.986 CB :: 28.470 CG :: 24.261 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.574 HA :: 2.079(S) HB2 :: 2.623(S) HB3 :: 0.867 HG2 :: 1.009 HD2 :: 1.361 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.863 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HB2 : 0.9994) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.44 A 0.04 C Shift Assignments>> C :: 173.762 CA :: 58.196 CB :: 72.139 CG2 :: 21.300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.447 HA :: 5.419 HB :: 4.341 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.561 Ave N Shift Values>> N :: 115.42(4.75) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 E 0.16 M 0.11 I 0.01 C Shift Assignments>> C :: 174.873 CA :: 56.264 CB :: 38.294 CG :: 31.764 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.978 HA :: 5.298 HB2 :: 2.223 HB3 :: 2.763 HG2 :: 3.008 HG3 :: 2.510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.882 Ave N Shift Values>> N :: 120.09(3.57) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 173.713 CA :: 62.201 CB :: 71.969 CG2 :: 21.857 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.290 HA :: 5.670 HB :: 3.884 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.307 Ave N Shift Values>> N :: 115.42(4.75) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.38 G 0.01 C Shift Assignments>> C :: 174.508 CA :: 59.254 CB :: 42.172 CG1 :: 26.735 CG2 :: 18.574 CD1 :: 14.440 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.952 HA :: 5.194 HB :: 1.899 HG12 :: 1.770 HG13 :: 1.348 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 HD11 :: 1.111 HD12 :: 1.111 HD13 :: 1.111 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.631 Ave N Shift Values>> N :: 121.46(4.28) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 M 0.24 E 0.12 K 0.1 C Shift Assignments>> C :: 175.519 CA :: 55.626 CB :: 30.702 CG :: 34.237 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.516 HA :: 4.901 HB2 :: 2.117 HG3 :: 2.423 HE21 :: 7.840 HE22 :: 6.815 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.696 NE2 :: 112.126 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.39 E 0.12 Q 0.06 C Shift Assignments>> C :: 174.512 CA :: 55.492 CB :: 35.082 CG :: 33.072 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.636 HA :: 5.119 HB2 :: 2.221 HB3 :: 1.939 HG2 :: 2.470 HG3 :: 2.626 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.153 Ave N Shift Values>> N :: 120.09(3.57) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.F21 1.F21 C Shift Assignments>> C :: 173.085 CA :: 57.432 CB :: 65.730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.814 HA :: 4.930 HB2 :: 3.867 HB3 :: 3.912 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.928 Ave N Shift Values>> N :: 116.28(3.52) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.703 CA :: 45.019 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.410 HA2 :: 4.016 HA3 :: 4.844 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.622 Ave N Shift Values>> N :: 109.67(3.87) 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 :: 176.659 CA :: 62.151 CB :: 63.014 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.887 HA :: 3.894 HB2 :: 3.957 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.525 Ave N Shift Values>> N :: 116.28(3.52) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 I 0.1 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> C :: 177.716 CA :: 58.219 CB :: 29.282 CG :: 36.197 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.732 HA :: 4.240 HB2 :: 1.891 HG3 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.291 Ave N Shift Values>> N :: 120.67(3.48) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.K108 1.K108 C Shift Assignments>> C :: 178.713 CA :: 63.385 CB :: 38.582 CG1 :: 28.723 CG2 :: 17.942 CD1 :: 12.821 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.575 HA :: 4.140 HB :: 1.858 HG12 :: 1.466 HG13 :: 1.181 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.261 Ave N Shift Values>> N :: 121.46(4.28) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.12 I 0.08 Q 0.07 M 0.01 C Shift Assignments>> C :: 176.572 CA :: 57.528 CB :: 29.051 CG :: 36.120 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.247 HA :: 4.788 HB2 :: 2.162 HG2 :: 2.577 HE21 :: 7.469 HE22 :: 6.819 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.498 NE2 :: 113.748 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.07 C Shift Assignments>> C :: 175.971 CA :: 58.285 CB :: 32.426 CG :: 24.913 CD :: 29.859 CE :: 41.883 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.038 HA :: 3.848 HB2 :: 1.179 HB3 :: 1.312 HG2 :: 1.185 HG3 :: 0.929 HD2 :: 1.481 HE2 :: 2.794 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.019 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.17 L 0.14 D 0.09 C 0.09 I 0.04 R 0.01 C Shift Assignments>> CA :: 57.584 CB :: 41.169 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.339 HA :: 4.412 HB3 :: 2.228 HD1 :: 7.062 HD2 :: 7.062 HE1 :: 6.885 HE2 :: 6.885 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.169 Ave N Shift Values>> N :: 120.52(4.2) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 F 0.18 D 0.17 K 0.15 Y 0.14 C 0.07 N 0.02 I 0.01 R 0.01 C Shift Assignments>> C :: 175.041 CA :: 56.403 CB :: 41.085 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.631 HA :: 5.258 HB2 :: 3.291 HB3 :: 2.498 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 7.225 HE2 :: 7.225 HZ :: 6.886 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.039 Ave N Shift Values>> N :: 120.45(4.18) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 K 0.11 C Shift Assignments>> C :: 177.743 CA :: 58.498 CB :: 33.905 CG :: 25.690 CD :: 29.441 CE :: 39.737 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.760 HA :: 4.257 HB3 :: 1.677 HG2 :: 1.428 HD2 :: 1.387 HE2 :: 2.982 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.831 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 172.579 CA :: 60.804 CB :: 72.266 CG2 :: 22.574 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.421 HA :: 4.590 HB :: 3.982 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.145 Ave N Shift Values>> N :: 115.42(4.75) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.29 L 0.21 R 0.08 A 0.02 C Shift Assignments>> C :: 173.206 CA :: 55.528 CB :: 44.750 CG :: 27.648 CD1 :: 23.091 CD2 :: 26.459 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.072 HA :: 4.845 HB2 :: 1.925 HB3 :: 0.956 HG :: 1.266 HD11 :: 0.184 HD12 :: 0.184 HD13 :: 0.184 HD21 :: 0.434 HD22 :: 0.434 HD23 :: 0.434 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.477 Ave N Shift Values>> N :: 121.86(3.9) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.14 E 0.06 L 0.03 I 0.03 Q 0.01 C Shift Assignments>> C :: 175.501 CA :: 54.392 CB :: 36.711 CG :: 25.702 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.998 HA :: 5.502 HB3 :: 1.728 HG2 :: 1.377 HD2 :: 1.621 HE2 :: 2.992 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.091 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 171.858 CA :: 44.352 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.319 HA2 :: 2.815 HA3 :: 4.922 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.592 Ave N Shift Values>> N :: 109.67(3.87) 1.S69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.268 CA :: 56.841 CB :: 65.980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.753 HA :: 5.925(S) HB2 :: 3.631 HB3 :: 3.947 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.008 Ave N Shift Values>> N :: 116.28(3.52) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 G 0.1 I 0.05 A 0.01 C Shift Assignments>> C :: 173.925 CA :: 58.455 CB :: 43.261 CG1 :: 30.658 CG2 :: 16.654 CD1 :: 14.113 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.466 HA :: 5.881 HB :: 2.071 HG12 :: 1.160 HG13 :: 1.606 HG21 :: 1.300 HG22 :: 1.300 HG23 :: 1.300 HD11 :: 0.228 HD12 :: 0.228 HD13 :: 0.228 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.261 Ave N Shift Values>> N :: 121.46(4.28) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 L 0.34 C 0.1 K 0.01 C Shift Assignments>> C :: 176.400 CA :: 52.471 CB :: 21.991 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.466 HA :: 5.189 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.816 Ave N Shift Values>> N :: 123.23(3.54) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.45 K 0.01 C Shift Assignments>> C :: 175.158 CA :: 61.232 CB :: 34.179 CG1 :: 22.303 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.203 HA :: 5.002 HB :: 2.199 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.137 Ave N Shift Values>> N :: 121.14(4.54) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.36 A 0.01 C Shift Assignments>> CA :: 58.419 CB :: 71.463 CG2 :: 21.723 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.139 HA :: 5.003 HB :: 4.098 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.106 Ave N Shift Values>> N :: 115.42(4.75) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.25 I 0.02 R 0.02 K 0.01 C Shift Assignments>> C :: 177.031 CA :: 63.262 CB :: 32.683 CG :: 27.729 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.647 HB2 :: 1.859 HB3 :: 2.472 HD2 :: 3.061 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.183 CA :: 63.589 CB :: 38.044 CG1 :: 28.013 CG2 :: 17.110 CD1 :: 13.405 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.049 HA :: 3.573 HB :: 1.283 HG12 :: 0.952 HG13 :: -0.288(S) HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.021 Ave N Shift Values>> N :: 121.46(4.28) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.045 CA :: 45.899 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.444 HA2 :: 3.770 HA3 :: 4.129 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.484 Ave N Shift Values>> N :: 109.67(3.87) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.29 HN Overlap>> 1.L118 1.L118 C Shift Assignments>> C :: 176.399 CA :: 62.817 CB :: 32.419 CG1 :: 20.687 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.817 HA :: 4.103 HB :: 2.069 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.234 Ave N Shift Values>> N :: 121.14(4.54) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.494 CA :: 45.071 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449 HA2 :: 3.905 HA3 :: 4.117 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.251 Ave N Shift Values>> N :: 109.67(3.87) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 R 0.15 K 0.14 F 0.06 C 0.04 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 175.721 CA :: 54.442 CB :: 42.467 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.125 HA :: 4.774 HB2 :: 2.456 HB3 :: 2.759 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.692 Ave N Shift Values>> N :: 120.65(3.86) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.160 CA :: 44.874 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.089 HA2 :: 3.732 HA3 :: 4.242 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.219 Ave N Shift Values>> N :: 109.67(3.87) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 171.739 CA :: 58.477 CB :: 65.871 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.267 HA :: 5.071 HB2 :: 3.070 HB3 :: 3.364 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.693 Ave N Shift Values>> N :: 116.28(3.52) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 C 0.13 Q 0.13 W 0.12 M 0.1 E 0.09 K 0.05 C Shift Assignments>> C :: 174.072 CA :: 54.257 CB :: 30.410 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.423 HA :: 5.236 HB2 :: 3.031 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.380 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.53 C 0.43 K 0.02 C Shift Assignments>> C :: 174.505 CA :: 61.119 CB :: 32.742 CG1 :: 22.450 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.965 HA :: 4.453 HB :: 0.313(S) HG11 :: 0.214 HG12 :: 0.214 HG13 :: 0.214 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.741 Ave N Shift Values>> N :: 121.14(4.54) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> C :: 174.672 CA :: 61.371 CB :: 34.031 CG1 :: 21.003 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.239 HA :: 4.645 HB :: 1.864 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.722 Ave N Shift Values>> N :: 121.14(4.54) 1.W85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.17 Q 0.17 C 0.16 R 0.08 H 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 173.670 CA :: 54.699 CB :: 33.113 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.938 HA :: 5.810 HB2 :: 2.779 HB3 :: 3.188 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 131.537 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 C 0.4 C Shift Assignments>> C :: 173.677 CA :: 60.303 CB :: 71.832 CG2 :: 22.782 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.373 HA :: 5.316 HB :: 4.017 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.452 Ave N Shift Values>> N :: 115.42(4.75) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.17 F 0.11 Y 0.08 R 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 174.847 CA :: 55.906 CB :: 41.806 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.093 HA :: 5.685 HB2 :: 2.793 HD1 :: 7.069 HD2 :: 7.069 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.035 Ave N Shift Values>> N :: 120.45(4.18) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.15 R 0.11 H 0.1 Q 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 175.559 CA :: 55.962 CB :: 32.467 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.167 HA :: 4.857 HB2 :: 2.760 HB3 :: 3.024 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.437 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.27 G 0.11 D 0.11 C 0.04 F 0.04 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.849 CA :: 54.662 CB :: 43.721 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.157 HA :: 5.558 HB2 :: 2.554 HB3 :: 2.965 HD1 :: 6.773 HD2 :: 6.773 HE1 :: 7.134 HE2 :: 7.134 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.292 Ave N Shift Values>> N :: 120.45(4.18) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.28 E 0.23 Q 0.01 C Shift Assignments>> C :: 176.735 CA :: 55.453 CB :: 32.667 CG :: 36.523 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.380 HA :: 5.160 HB2 :: 2.024 HG3 :: 2.167 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.750 Ave N Shift Values>> N :: 120.67(3.48) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.26 M 0.1 Y 0.09 K 0.06 F 0.04 I 0.04 Q 0.03 V 0.01 C Shift Assignments>> C :: 176.331 CA :: 57.647 CB :: 35.980 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.526 HA :: 4.776 HB2 :: 2.160 HB3 :: 1.836 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 175.635 CA :: 65.242 CB :: 32.399 CG1 :: 21.056 CG2 :: 21.629 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.107 HA :: 3.826 HB :: 1.882 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.541 Ave N Shift Values>> N :: 121.14(4.54) 1.H93 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.21 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.119 CA :: 55.951 CB :: 33.142 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.976 HA :: 4.552 HB2 :: 4.590(S) HB3 :: 3.229 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.677 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (HA > HB2 : 0.9926) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 176.512 CA :: 58.633 CB :: 32.618 CG :: 23.820 CD :: 29.562 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.582 HA :: 4.037 HB2 :: 2.005 HG3 :: 1.411 HD3 :: 1.757 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.413 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 F 0.12 K 0.11 Y 0.09 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 175.988 CA :: 55.016 CB :: 41.021 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.717 HA :: 4.939 HB2 :: 2.698 HB3 :: 3.037 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.165 Ave N Shift Values>> N :: 120.65(3.86) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 175.767 CA :: 58.601 CB :: 37.621 CG1 :: 26.881 CG2 :: 16.916 CD1 :: 11.754 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.101 HA :: 3.943 HB :: 1.939 HG12 :: 1.447 HG13 :: 1.265 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.264 Ave N Shift Values>> N :: 121.46(4.28) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 C Shift Assignments>> C :: 177.612 CA :: 54.675 CB :: 41.202 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.561 HA :: 4.609 HB2 :: 2.550 HB3 :: 2.837 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.132 Ave N Shift Values>> N :: 120.65(3.86) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.21 C 0.08 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> CA :: 53.507 CB :: 39.105 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.636 HA :: 4.081 HB2 :: 2.105 HB3 :: 2.413 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.991 Ave N Shift Values>> N :: 120.65(3.86) 1.P99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.070 CA :: 61.901 CB :: 62.058 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.329 HB2 :: 3.933 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 180.293 CA :: 64.026 CB :: 37.849 CG2 :: 18.175 CD1 :: 12.881 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.140 HA :: 4.123 HB :: 1.634 HG12 :: 0.987 HG13 :: 1.413 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.477 HD12 :: 0.477 HD13 :: 0.477 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.842 Ave N Shift Values>> N :: 121.46(4.28) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.569 CA :: 64.912 CB :: 36.619 CG2 :: 16.935 CD1 :: 11.902 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.159 HA :: 4.171 HB :: 2.317 HG12 :: 1.575 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.131 Ave N Shift Values>> N :: 121.46(4.28) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.08 D 0.07 I 0.07 C Shift Assignments>> C :: 179.502 CA :: 57.977 CB :: 40.644 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.247 HA :: 4.470 HB3 :: 2.792 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.837 Ave N Shift Values>> N :: 120.65(3.86) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.12 K 0.04 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.680 CA :: 59.344 CB :: 30.030 CG :: 36.406 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.910 HA :: 4.040 HB2 :: 2.158 HG3 :: 2.351 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.884 Ave N Shift Values>> N :: 120.67(3.48) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 T 0.23 I 0.19 P 0.16 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 174.253 CA :: 62.570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.258 HA :: 3.974 HB2 :: 3.533 HB3 :: 4.244 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.918 Ave N Shift Values>> N :: 116.28(3.52) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.346 CA :: 67.574 CB :: 31.712 CG1 :: 20.722 CG2 :: 24.094 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.308 HA :: 3.293 HB :: 2.088 HG11 :: 0.471 HG12 :: 0.471 HG13 :: 0.471 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.949 Ave N Shift Values>> N :: 121.14(4.54) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 K 0.02 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 179.294 CA :: 60.028 CB :: 32.630 CG :: 25.853 CD :: 29.747 CE :: 39.300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.516 HA :: 3.855 HB3 :: 1.863 HG2 :: 1.395 HG3 :: 1.517 HD3 :: 1.641 HE3 :: 2.736 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.294 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.26 Y 0.16 F 0.1 E 0.07 V 0.01 C Shift Assignments>> C :: 176.959 CA :: 60.862 CB :: 37.183 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.540 HA :: 4.138 HB3 :: 2.965 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.510 Ave N Shift Values>> N :: 120.52(4.2) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 F 0.2 Y 0.2 C 0.15 HN Overlap>> 1.F11 1.F11 C Shift Assignments>> C :: 178.376 CA :: 61.449 CB :: 39.773 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.485 HB2 :: 1.987 HD1 :: 6.341 HD2 :: 6.341 HE1 :: 6.628 HE2 :: 6.628 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.716 Ave N Shift Values>> N :: 120.45(4.18) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.34 C Shift Assignments>> C :: 179.429 CA :: 59.650 CB :: 32.335 CG :: 26.306 CD :: 29.494 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.360 HA :: 4.158 HB3 :: 2.110 HG2 :: 1.465 HD3 :: 1.740 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.811 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.45 C Shift Assignments>> C :: 179.221 CA :: 59.041 CB :: 32.118 CG :: 25.441 CD :: 29.532 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.786 HA :: 4.127 HB3 :: 1.875 HG3 :: 1.480 HD2 :: 1.652 HE2 :: 2.984 HE3 :: 3.114 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.682 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.44 G 0.01 C Shift Assignments>> C :: 177.703 CA :: 58.041 CB :: 42.056 CG :: 26.022 CD1 :: 22.846 CD2 :: 24.319 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.335 HA :: 4.008 HB3 :: 1.948 HG :: 1.380 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.657 Ave N Shift Values>> N :: 121.86(3.9) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.2 F 0.11 K 0.1 C 0.07 Y 0.07 D 0.04 G 0.03 I 0.01 C Shift Assignments>> C :: 177.431 CA :: 57.729 CB :: 43.160 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.018 HA :: 4.596 HB2 :: 2.898 HB3 :: 3.095 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.345 Ave N Shift Values>> N :: 120.65(3.86) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.37 I 0.11 M 0.04 K 0.03 Q 0.01 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 178.612 CA :: 59.106 CB :: 30.249 CG :: 36.570 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.465 HA :: 3.904 HB3 :: 2.037 HG2 :: 2.259 HG3 :: 2.483 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.856 Ave N Shift Values>> N :: 120.67(3.48) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.42 C 0.02 I 0.02 C Shift Assignments>> C :: 180.928 CA :: 54.775 CB :: 18.462 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.254 HA :: 4.129 HB1 :: 1.541 HB2 :: 1.541 HB3 :: 1.541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.223 Ave N Shift Values>> N :: 123.23(3.54) 1.I117 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 :: 178.938 CA :: 63.340 CB :: 38.119 CG2 :: 18.625 CD1 :: 14.624 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.277 HA :: 3.769 HB :: 2.110 HG12 :: 1.683 HG13 :: 1.249 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.650 Ave N Shift Values>> N :: 121.46(4.28) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 K 0.03 G 0.01 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 178.135 CA :: 56.883 CB :: 42.353 CG :: 25.783 CD2 :: 24.052 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.807 HA :: 4.150 HB2 :: 1.583 HB3 :: 1.780 HG :: 0.879 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.184 Ave N Shift Values>> N :: 121.86(3.9) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.23 F 0.08 C 0.08 Y 0.08 L 0.07 C Shift Assignments>> C :: 174.746 CA :: 53.459 CB :: 39.312 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.787 HA :: 4.707 HB2 :: 2.833 HB3 :: 2.755 HD21 :: 6.981 HD22 :: 7.683 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.027 ND2 :: 115.009 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.14 L 0.03 D 0.03 C Shift Assignments>> C :: 175.301 CA :: 58.508 CB :: 39.413 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.756 HA :: 4.567 HB3 :: 3.185 HD1 :: 7.298 HD2 :: 7.298 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.568 Ave N Shift Values>> N :: 120.45(4.18) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 174.764 CA :: 55.731 CB :: 33.825 CG :: 24.605 CD :: 29.971 CE :: 42.417 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.016 HA :: 4.315 HB2 :: 1.654 HG3 :: 1.389 HE2 :: 2.992 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.143 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.13 E 0.12 H 0.12 K 0.09 M 0.09 Q 0.07 V 0.03 C Shift Assignments>> CA :: 58.065 CB :: 31.194 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.891 HA :: 4.025 HB2 :: 1.914 HB3 :: 2.077 HG2 :: 2.197 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.950 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 2 C Shift Results: #Consistent: 439 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 654 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D12 HA = 5.797(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.6203e-04 1.V13 HG11 = -0.096(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.6869e-04 1.V13 HG12 = -0.096(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.6869e-04 1.V13 HG13 = -0.096(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.6869e-04 1.K14 H = 10.791(S), Expected = 8.19, Std = 0.6000, ChiSquare = 1.4576e-05 1.P31 Typing: Suspicious 1.P31 CB = 27.255(S), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8577e-05 1.F32 Typing: Mistyped 1.F32 CB = 30.236(S), Expected = 39.99, Std = 2.0900, ChiSquare = 3.0565e-06 1.K48 HA = 2.079(S), Expected = 4.27, Std = 0.4400, ChiSquare = 6.3734e-07 1.K48 HB2 = 2.623(S), Expected = 1.78, Std = 0.2500, ChiSquare = 7.4624e-04 1.K48 SRO Rule Break>> HA > HB2 : 0.999415774099318 1.S69 HA = 5.925(S), Expected = 4.48, Std = 0.4000, ChiSquare = 3.0326e-04 1.I75 HG13 = -0.288(S), Expected = 1.19, Std = 0.4100, ChiSquare = 3.1230e-04 1.V83 HB = 0.313(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.8948e-07 1.H93 HB2 = 4.590(S), Expected = 3.10, Std = 0.3600, ChiSquare = 3.4899e-05 1.H93 SRO Rule Break>> HA > HB2 : 0.992622401073105