Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.165 CA :: 58.952 CB :: 63.774 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.449 HB2 :: 3.911 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.G7 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 :: 174.120 CA :: 45.655 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.469 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.807 Ave N Shift Values>> N :: 109.67(3.87) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.654 CA :: 58.620 CB :: 63.997 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.135 HA :: 4.527 HB2 :: 3.952 HB3 :: 3.891 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.857 Ave N Shift Values>> N :: 116.28(3.52) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.39 K 0.12 G 0.08 HN Overlap>> 1.A27 1.A27 C Shift Assignments>> C :: 173.827 CA :: 56.361 CB :: 30.931 CG :: 28.594 CD :: 43.558 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.390 HA :: 4.476 HB2 :: 2.396 HB3 :: 1.715 HG2 :: 1.284 HG3 :: 1.686 HD2 :: 3.185 HD3 :: 3.135 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.404 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.K10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 K 0.35 R 0.12 C Shift Assignments>> C :: 175.838 CA :: 55.246 CB :: 35.720 CG :: 25.559 CD :: 29.964 CE :: 41.345 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 :: 8.044 HA :: 5.490 HB2 :: 1.771 HB3 :: 1.600 HG2 :: 1.232 HG3 :: 1.099 HD2 :: 1.126 HD3 :: 1.067 HE2 :: 2.103(S) HE3 :: 1.931(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.141 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> C :: 174.279 CA :: 61.121 CB :: 36.467 CG1 :: 22.730 CG2 :: 22.488 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 :: 9.212 HA :: 4.623 HB :: 2.007 HG11 :: 1.023 HG12 :: 1.023 HG13 :: 1.023 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 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 :: 123.226 Ave N Shift Values>> N :: 121.14(4.54) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.26 C Shift Assignments>> C :: 173.097 CA :: 57.621 CB :: 40.881 CD1 :: 131.419 CD2 :: 131.419 CE1 :: 131.030 CE2 :: 131.030 CZ :: 129.642 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 :: 8.954 HA :: 4.695 HB2 :: 3.323 HB3 :: 2.909 HD1 :: 6.699 HD2 :: 6.699 HE1 :: 6.743 HE2 :: 6.743 HZ :: 6.905 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 :: 128.661 Ave N Shift Values>> N :: 120.45(4.18) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 173.362 CA :: 59.003 CB :: 33.785 CG1 :: 21.416 CG2 :: 21.351 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.238 HA :: 5.171 HB :: 1.596 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: 0.622 HG22 :: 0.622 HG23 :: 0.622 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 :: 126.136 Ave N Shift Values>> N :: 121.14(4.54) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.435 CA :: 43.774 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.855 HA2 :: 4.737 HA3 :: 3.712 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.315 Ave N Shift Values>> N :: 109.67(3.87) 1.G15 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 :: 176.150 CA :: 45.871 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.034 HA2 :: 4.360 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.851 Ave N Shift Values>> N :: 109.67(3.87) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.22 A 0.03 R 0.01 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 174.754 CA :: 53.558 CB :: 41.100 CG :: 26.870 CD1 :: 26.493 CD2 :: 23.737 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 :: 8.561 HA :: 4.053 HB2 :: 1.265 HB3 :: 1.265 HG :: 1.441 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.433 Ave N Shift Values>> N :: 121.86(3.9) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 P 0.42 C Shift Assignments>> CA :: 61.005 CB :: 31.389 CG :: 27.792 CD :: 49.744 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 :: 4.620 HB2 :: 1.868 HB3 :: 2.402 HG2 :: 1.889 HG3 :: 1.889 HD2 :: 3.592 HD3 :: 3.316 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.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.844 CA :: 63.986 CB :: 31.862 CG :: 27.148 CD :: 50.519 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 :: 4.347 HB2 :: 1.830 HB3 :: 2.196 HG2 :: 1.994 HG3 :: 1.825 HD2 :: 3.701 HD3 :: 3.546 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.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.18 C 0.07 F 0.05 Y 0.04 L 0.04 C Shift Assignments>> C :: 174.767 CA :: 52.204 CB :: 39.033 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 :: 8.352 HA :: 4.071 HB2 :: 2.849 HB3 :: 2.217 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.459 Ave N Shift Values>> N :: 120.65(3.86) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.38 C Shift Assignments>> C :: 171.978 CA :: 60.171 CB :: 41.237 CG1 :: 29.987 CG2 :: 16.598 CD1 :: 14.136 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 :: 7.002 HA :: 4.692 HB :: 1.433 HG12 :: 1.686 HG13 :: 1.493 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.391 Ave N Shift Values>> N :: 121.46(4.28) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.28 R 0.11 G 0.07 N 0.06 K 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.510 CA :: 51.611 CB :: 42.635 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 :: 8.208 HA :: 4.929 HB2 :: 2.825 HB3 :: 2.323 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 :: 125.333 Ave N Shift Values>> N :: 120.65(3.86) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.26 I 0.11 Q 0.05 K 0.04 M 0.04 C Shift Assignments>> C :: 178.697 CA :: 60.736 CB :: 30.385 CG :: 35.500 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 :: 8.681 HA :: 3.910 HB2 :: 2.312 HB3 :: 2.206 HG2 :: 2.282 HG3 :: 2.128 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 :: 117.809 Ave N Shift Values>> N :: 120.67(3.48) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 I 0.08 L 0.08 D 0.07 K 0.01 N 0.01 C Shift Assignments>> C :: 178.997 CA :: 57.854 CB :: 40.010 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 :: 8.627 HA :: 4.472 HB2 :: 2.876 HB3 :: 2.674 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 :: 122.254 Ave N Shift Values>> N :: 120.65(3.86) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.13 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 180.716 CA :: 58.930 CB :: 29.737 CG :: 36.464 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 :: 8.653 HA :: 4.299 HB2 :: 2.324 HB3 :: 2.099 HG2 :: 2.473 HG3 :: 2.428 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 :: 123.367 Ave N Shift Values>> N :: 120.67(3.48) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.958 CA :: 66.986 CB :: 38.362 CG1 :: 29.612 CG2 :: 18.862 CD1 :: 14.388 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 :: 9.028 HA :: 3.626 HB :: 1.980 HG12 :: 2.086 HG13 :: 0.685 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.959 Ave N Shift Values>> N :: 121.46(4.28) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.219 CA :: 68.088 CB :: 68.565 CG2 :: 21.362 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 :: 8.502 HA :: 3.721 HB :: 4.469 HG21 :: 1.291 HG22 :: 1.291 HG23 :: 1.291 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 :: 115.947 Ave N Shift Values>> N :: 115.42(4.75) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 I 0.03 C 0.03 HN Overlap>> 1.R9 1.R9 C Shift Assignments>> C :: 180.264 CA :: 55.259 CB :: 18.339 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.357 HA :: 4.063 HB1 :: 1.546 HB2 :: 1.546 HB3 :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.344 Ave N Shift Values>> N :: 123.23(3.54) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S47 1.S47 C Shift Assignments>> C :: 174.056 CA :: 62.009 CB :: 63.648 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.918 HA :: 4.261 HB2 :: 3.469 HB3 :: 4.073 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 :: 113.264 Ave N Shift Values>> N :: 116.28(3.52) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.25 C Shift Assignments>> C :: 175.891 CA :: 59.236 CB :: 41.886 CD1 :: 132.722 CD2 :: 132.722 CE1 :: 130.470 CE2 :: 130.470 CZ :: 128.745 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 :: 7.573 HA :: 4.964 HB2 :: 3.651 HB3 :: 2.781 HD1 :: 7.632 HD2 :: 7.632 HE1 :: 7.104 HE2 :: 7.104 HZ :: 6.950 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 :: 114.787 Ave N Shift Values>> N :: 120.45(4.18) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.11 L 0.06 G 0.04 C Shift Assignments>> C :: 177.963 CA :: 57.079 CB :: 29.112 CG :: 26.853 CD :: 43.102 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.217 HA :: 4.592 HB2 :: 2.068 HB3 :: 1.872 HG2 :: 1.779 HG3 :: 1.610 HD2 :: 3.412 HD3 :: 3.159 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.924 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.R31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 L 0.23 K 0.16 G 0.1 R 0.09 C Shift Assignments>> C :: 176.962 CA :: 57.542 CB :: 28.454 CG :: 24.728 CD :: 43.612 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.081 HA :: 4.106 HB2 :: 1.598 HB3 :: 1.418 HG2 :: 0.821 HG3 :: 0.044(S) HD2 :: 2.814 HD3 :: 2.814 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.049 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.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 175.526 CA :: 59.315 CB :: 38.544 CD1 :: 131.416 CD2 :: 131.416 CE1 :: 131.859 CE2 :: 131.859 CZ :: 129.234 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 :: 7.820 HA :: 4.593 HB2 :: 3.499 HB3 :: 3.102 HD1 :: 7.576 HD2 :: 7.576 HE1 :: 7.299 HE2 :: 7.299 HZ :: 7.169 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 :: 118.594 Ave N Shift Values>> N :: 120.45(4.18) 1.G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 180.711(S) CA :: 44.737 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.831 HA2 :: 4.017 HA3 :: 4.680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.072 Ave N Shift Values>> N :: 109.67(3.87) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.735 CA :: 63.759 CB :: 32.362 CG :: 28.164 CD :: 49.486 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 :: 4.380 HB2 :: 1.901 HB3 :: 2.332 HG2 :: 2.128 HG3 :: 2.035 HD2 :: 3.819 HD3 :: 3.618 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.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.34 G 0.13 L 0.02 K 0.01 HN Overlap>> 1.Q60 1.Q60 C Shift Assignments>> C :: 174.256 CA :: 55.518 CB :: 43.828 CG :: 27.294 CD1 :: 29.635 CD2 :: 25.612 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 :: 8.161 HA :: 5.119 HB2 :: 1.367 HB3 :: 0.687 HG :: 1.302 HD11 :: 0.505 HD12 :: 0.505 HD13 :: 0.505 HD21 :: 1.114 HD22 :: 1.114 HD23 :: 1.114 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.867 Ave N Shift Values>> N :: 121.86(3.9) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 173.598 CA :: 60.611 CB :: 35.407 CG1 :: 21.440 CG2 :: 20.624 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 :: 7.837 HA :: 4.364 HB :: 2.004 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.685 Ave N Shift Values>> N :: 121.14(4.54) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> C :: 173.728 CA :: 61.099 CB :: 33.782 CG1 :: 22.203 CG2 :: 22.612 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 :: 8.592 HA :: 4.735 HB :: 1.922 HG11 :: 1.007 HG12 :: 1.007 HG13 :: 1.007 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 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 :: 123.822 Ave N Shift Values>> N :: 121.14(4.54) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 C 0.02 C Shift Assignments>> C :: 174.052 CA :: 52.253 CB :: 46.180 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 :: 9.275 HA :: 4.772 HB2 :: 2.476 HB3 :: 2.349 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 :: 125.950 Ave N Shift Values>> N :: 120.65(3.86) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 172.560 CA :: 56.998 CB :: 26.612 CD1 :: 128.161 CE3 :: 119.874 CZ2 :: 115.317 CZ3 :: 120.470 CH2 :: 123.373 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 :: 7.967 HA :: 4.816 HB2 :: 3.724 HB3 :: 3.128 HD1 :: 7.212 HE1 :: 10.385 HE3 :: 7.212 HZ2 :: 7.207 HZ3 :: 6.576 HH2 :: 6.911 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 :: 116.980 NE1 :: 131.166 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 177.100 CA :: 64.781 CB :: 31.703 CG :: 28.385 CD :: 50.918 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 :: 4.296 HB2 :: 1.976 HB3 :: 2.229 HG2 :: 2.466 HG3 :: 2.179 HD2 :: 3.801 HD3 :: 3.731 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.H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.34 C 0.3 C Shift Assignments>> C :: 175.798 CA :: 57.242 CB :: 27.493 CD2 :: 120.939 CE1 :: 137.859 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.991 HA :: 4.439 HB2 :: 3.568 HB3 :: 3.419 HD2 :: 7.059 HE1 :: 8.171 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 :: 116.024 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.44 R 0.04 C Shift Assignments>> C :: 178.521 CA :: 60.361 CB :: 32.721 CG :: 24.886 CD :: 29.635 CE :: 41.873 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 :: 7.907 HA :: 3.756 HB2 :: 1.465 HB3 :: 0.568(S) HG2 :: 0.892 HG3 :: 0.446 HD2 :: 1.052 HD3 :: -0.057(S) HE2 :: 2.299 HE3 :: 2.162(S) 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 :: 123.661 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 C 0.02 I 0.01 HN Overlap>> 1.A55 1.L16 1.A55 1.L16 C Shift Assignments>> C :: 179.196 CA :: 54.146 CB :: 18.429 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.634 HA :: 4.149 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.412 Ave N Shift Values>> N :: 123.23(3.54) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 I 0.06 M 0.05 K 0.05 Q 0.03 C Shift Assignments>> C :: 177.027 CA :: 57.600 CB :: 30.041 CG :: 36.600 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 :: 8.137 HA :: 4.232 HB2 :: 2.146 HB3 :: 2.053 HG2 :: 2.388 HG3 :: 2.267 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 :: 116.582 Ave N Shift Values>> N :: 120.67(3.48) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.430 CA :: 58.736 CB :: 64.419 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.031 HA :: 4.486 HB2 :: 4.080 HB3 :: 4.080 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 :: 113.935 Ave N Shift Values>> N :: 116.28(3.52) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.21 G 0.01 C Shift Assignments>> C :: 175.841 CA :: 56.646 CB :: 30.988 CG :: 24.853 CD :: 29.104 CE :: 42.319 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 :: 8.255 HA :: 4.197 HB2 :: 1.959 HB3 :: 1.865 HG2 :: 1.426 HG3 :: 1.426 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 3.015 HE3 :: 3.015 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 :: 120.078 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 174.964 CA :: 57.251 CB :: 64.429 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.888 HA :: 4.506 HB2 :: 3.981 HB3 :: 3.922 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 :: 113.322 Ave N Shift Values>> N :: 116.28(3.52) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 173.988 CA :: 58.059 CB :: 38.613 CD1 :: 132.984 CD2 :: 132.984 CE1 :: 118.354 CE2 :: 118.354 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.592 HA :: 4.786 HB2 :: 3.147 HB3 :: 2.635 HD1 :: 7.120 HD2 :: 7.120 HE1 :: 6.852 HE2 :: 6.852 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 :: 122.514 Ave N Shift Values>> N :: 120.52(4.2) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 F 0.39 C 0.12 C Shift Assignments>> C :: 173.131 CA :: 53.725 CB :: 40.271 CD1 :: 132.484 CD2 :: 132.484 CE1 :: 131.066 CE2 :: 131.066 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 :: 7.650 HA :: 5.008 HB2 :: 2.963 HB3 :: 2.588 HD1 :: 7.118 HD2 :: 7.118 HE1 :: 7.294 HE2 :: 7.294 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 :: 117.707 Ave N Shift Values>> N :: 120.45(4.18) 1.P50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.89 P 0.1 C Shift Assignments>> CA :: 59.702 CB :: 30.248 CG :: 27.112 CD :: 49.850 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 :: 2.651(S) HB2 :: 1.303 HB3 :: 1.303 HG2 :: 1.440 HG3 :: 0.825 HD2 :: 3.534 HD3 :: 3.022 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.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.715 CA :: 64.350 CB :: 32.353 CG :: 27.214 CD :: 51.032 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 :: 4.250 HB2 :: 1.900 HB3 :: 2.282 HG2 :: 2.074 HG3 :: 1.960 HD2 :: 3.502 HD3 :: 3.253 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.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.31 R 0.17 G 0.01 C Shift Assignments>> CA :: 54.884 CB :: 33.148 CG :: 25.323 CD :: 29.122 CE :: 42.429 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 :: 8.238 HA :: 4.557 HB2 :: 2.225 HB3 :: 1.652 HG2 :: 1.453 HG3 :: 1.344 HD2 :: 1.781 HD3 :: 1.810 HE2 :: 3.066 HE3 :: 3.066 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 :: 116.867 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.096 CA :: 46.579 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.226 HA2 :: 4.096 HA3 :: 3.797 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.3 G 0.03 C Shift Assignments>> C :: 172.633 CA :: 54.690 CB :: 42.113 CD1 :: 134.029 CD2 :: 134.029 CE1 :: 118.109 CE2 :: 118.109 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 :: 6.977 HA :: 5.569 HB2 :: 2.763 HB3 :: 2.684 HD1 :: 6.723 HD2 :: 6.723 HE1 :: 6.816 HE2 :: 6.816 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 :: 114.315 Ave N Shift Values>> N :: 120.52(4.2) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 L 0.35 C 0.14 K 0.01 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 173.012 CA :: 50.475 CB :: 22.691 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.686 HA :: 4.487 HB1 :: 1.205 HB2 :: 1.205 HB3 :: 1.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.367 Ave N Shift Values>> N :: 123.23(3.54) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.29 C 0.13 C Shift Assignments>> C :: 174.538 CA :: 55.463 CB :: 41.748 CD1 :: 131.461 CD2 :: 131.461 CE1 :: 131.222 CE2 :: 131.222 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 :: 9.232 HA :: 5.555 HB2 :: 2.720 HB3 :: 2.720 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.974 HE2 :: 6.974 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 :: 114.912 Ave N Shift Values>> N :: 120.45(4.18) 1.L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 A 0.31 C 0.13 C Shift Assignments>> C :: 175.367 CA :: 52.623 CB :: 41.850 CG :: 26.317 CD1 :: 24.544 CD2 :: 21.749 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 :: 9.458 HA :: 4.557 HB2 :: 1.604 HB3 :: 0.624 HG :: 1.280 HD11 :: -0.244(S) HD12 :: -0.244(S) HD13 :: -0.244(S) HD21 :: 0.222 HD22 :: 0.222 HD23 :: 0.222 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.674 Ave N Shift Values>> N :: 121.86(3.9) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.23 C Shift Assignments>> C :: 177.403 CA :: 53.464 CB :: 41.100 CG :: 27.646 CD1 :: 24.987 CD2 :: 25.068 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 :: 8.783 HA :: 4.906 HB2 :: 1.495 HB3 :: 1.495 HG :: 1.372 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 124.753 Ave N Shift Values>> N :: 121.86(3.9) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 176.020 CA :: 59.032 CB :: 39.998 CD1 :: 132.734 CD2 :: 132.734 CE1 :: 131.359 CE2 :: 131.359 CZ :: 128.757 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 :: 8.833 HA :: 4.735 HB2 :: 3.469 HB3 :: 2.788 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 7.252 HE2 :: 7.252 HZ :: 7.169 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 :: 125.129 Ave N Shift Values>> N :: 120.45(4.18) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 E 0.16 K 0.15 M 0.1 I 0.01 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 176.471 CA :: 58.645 CB :: 30.228 CG :: 34.373 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 :: 8.122 HA :: 4.114 HB2 :: 2.179 HB3 :: 2.098 HG2 :: 2.400 HG3 :: 2.400 HE21 :: 7.832 HE22 :: 6.872 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.924 NE2 :: 111.958 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.34 E 0.22 Q 0.05 C Shift Assignments>> C :: 176.923 CA :: 54.346 CB :: 32.044 CG :: 35.782 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 :: 8.924 HA :: 4.795 HB2 :: 2.314 HB3 :: 2.047 HG2 :: 2.402 HG3 :: 2.304 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 :: 115.844 Ave N Shift Values>> N :: 120.67(3.48) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.21 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.268 CA :: 59.725 CB :: 29.499 CG :: 36.612 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.181 HA :: 3.950 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.328 HG3 :: 2.328 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 :: 123.572 Ave N Shift Values>> N :: 120.67(3.48) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.207 CA :: 60.861 CB :: 61.827 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.757 HA :: 4.217 HB2 :: 4.009 HB3 :: 4.009 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.799 Ave N Shift Values>> N :: 116.28(3.52) 1.S64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.165 CA :: 62.100 CB :: 63.770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.457 HA :: 4.214 HB2 :: 3.519 HB3 :: 2.947(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.594 Ave N Shift Values>> N :: 116.28(3.52) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.019 CA :: 66.501 CB :: 31.066 CG1 :: 23.601 CG2 :: 21.021 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 :: 7.087 HA :: 2.954 HB :: 2.244 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.844 Ave N Shift Values>> N :: 121.14(4.54) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.24 R 0.1 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.018 CA :: 58.225 CB :: 28.130 CG :: 33.623 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.277 HA :: 3.794 HB2 :: 2.134 HB3 :: 2.061 HG2 :: 2.382 HG3 :: 2.382 HE21 :: 7.875 HE22 :: 6.865 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.344 NE2 :: 115.628 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 I 0.03 C 0.03 C Shift Assignments>> C :: 179.428 CA :: 55.111 CB :: 18.408 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.557 HA :: 4.154 HB1 :: 1.709 HB2 :: 1.709 HB3 :: 1.709 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.322 Ave N Shift Values>> N :: 123.23(3.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.25 R 0.04 K 0.03 C Shift Assignments>> C :: 178.429 CA :: 57.736 CB :: 40.873 CG :: 27.487 CD1 :: 27.760 CD2 :: 25.487 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 :: 7.522 HA :: 2.826 HB2 :: 1.728 HB3 :: 0.633 HG :: 1.131 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.572 Ave N Shift Values>> N :: 121.86(3.9) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 179.658 CA :: 65.736 CB :: 37.487 CG1 :: 28.601 CG2 :: 16.980 CD1 :: 13.340 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 :: 8.294 HA :: 3.617 HB :: 1.885 HG12 :: 1.571 HG13 :: 0.999 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 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 :: 120.368 Ave N Shift Values>> N :: 121.46(4.28) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 L 0.15 D 0.15 C 0.09 K 0.09 I 0.03 N 0.03 C Shift Assignments>> C :: 176.887 CA :: 56.808 CB :: 40.669 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 :: 8.361 HA :: 4.418 HB2 :: 2.816 HB3 :: 2.712 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 :: 119.156 Ave N Shift Values>> N :: 120.65(3.86) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.03 L 0.03 C 0.03 C Shift Assignments>> C :: 177.940 CA :: 52.479 CB :: 20.328 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.592 HA :: 4.497 HB1 :: 1.784 HB2 :: 1.784 HB3 :: 1.784 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.958 Ave N Shift Values>> N :: 123.23(3.54) 1.C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.17 V 0.16 W 0.13 P 0.09 E 0.04 R 0.04 H 0.03 K 0.02 Q 0.02 C Shift Assignments>> C :: 175.197 CA :: 61.793 CB :: 30.127 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.450 HA :: 4.558 HB2 :: 3.244 HB3 :: 2.751 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 :: 116.656 Ave N Shift Values>> N :: 120.17(4.64) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.21 G 0.12 R 0.04 C Shift Assignments>> C :: 175.562 CA :: 54.282 CB :: 43.634 CG :: 27.237 CD1 :: 24.885 CD2 :: 24.612 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 :: 9.092 HA :: 4.612 HB2 :: 1.633 HB3 :: 1.633 HG :: 1.737 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 123.469 Ave N Shift Values>> N :: 121.86(3.9) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 M 0.28 Q 0.02 C Shift Assignments>> C :: 176.154 CA :: 54.884 CB :: 31.760 CG :: 36.362 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 :: 8.559 HA :: 5.483 HB2 :: 2.058 HB3 :: 1.824 HG2 :: 2.167 HG3 :: 2.026 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 :: 124.299 Ave N Shift Values>> N :: 120.67(3.48) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.26 E 0.24 Q 0.01 C Shift Assignments>> C :: 175.788 CA :: 56.316 CB :: 32.737 CG :: 36.362 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.207 HA :: 4.560 HB2 :: 2.025 HB3 :: 1.945 HG2 :: 2.178 HG3 :: 2.018 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 :: 126.469 Ave N Shift Values>> N :: 120.67(3.48) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 L 0.16 Y 0.14 N 0.12 C 0.08 K 0.03 I 0.01 C Shift Assignments>> C :: 175.706 CA :: 55.373 CB :: 40.248 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 :: 9.506 HA :: 4.359 HB2 :: 3.058 HB3 :: 2.592 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 :: 128.572 Ave N Shift Values>> N :: 120.65(3.86) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.899 CA :: 45.680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.946 HA2 :: 4.137 HA3 :: 3.725 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.094 Ave N Shift Values>> N :: 109.67(3.87) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 R 0.25 G 0.01 C Shift Assignments>> C :: 173.603 CA :: 54.960 CB :: 35.407 CG :: 25.576 CD :: 29.101 CE :: 42.362 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 :: 7.967 HA :: 4.557 HB2 :: 1.973 HB3 :: 1.505 HG2 :: 1.440 HG3 :: 1.386 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 3.089 HE3 :: 3.089 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.17 G 0.15 R 0.08 A 0.05 C Shift Assignments>> C :: 176.742 CA :: 53.600 CB :: 43.713 CG :: 27.078 CD1 :: 26.056 CD2 :: 23.157 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 :: 8.314 HA :: 5.211 HB2 :: 2.382 HB3 :: 1.251 HG :: 1.701 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.208 Ave N Shift Values>> N :: 121.86(3.9) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.21 G 0.2 C Shift Assignments>> C :: 175.049 CA :: 56.918 CB :: 43.503 CD1 :: 133.438 CD2 :: 133.438 CE1 :: 118.012 CE2 :: 118.012 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.064 HA :: 5.835 HB2 :: 2.888 HB3 :: 2.724 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.820 HE2 :: 6.820 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 :: 116.980 Ave N Shift Values>> N :: 120.52(4.2) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.36 L 0.2 C Shift Assignments>> C :: 176.202 CA :: 53.885 CB :: 46.609 CG :: 27.476 CD1 :: 26.451 CD2 :: 25.123 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 :: 8.796 HA :: 4.840 HB2 :: 1.777 HB3 :: 1.715 HG :: 1.889 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 1.077 HD22 :: 1.077 HD23 :: 1.077 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 :: 122.254 Ave N Shift Values>> N :: 121.86(3.9) 1.C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 I 0.15 K 0.12 E 0.1 Q 0.09 H 0.08 R 0.06 M 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 174.657 CA :: 59.519 CB :: 28.703 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.472 HA :: 5.204 HB2 :: 2.760 HB3 :: 2.409 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 :: 121.074 Ave N Shift Values>> N :: 120.17(4.64) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.39 C Shift Assignments>> C :: 174.141 CA :: 60.235 CB :: 35.476 CG1 :: 21.601 CG2 :: 20.294 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 :: 8.655 HA :: 4.511 HB :: 2.038 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 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 :: 118.708 Ave N Shift Values>> N :: 121.14(4.54) 1.S84 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 :: 171.981 CA :: 57.338 CB :: 66.055 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.389 HA :: 5.441 HB2 :: 3.999 HB3 :: 3.714 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.447 Ave N Shift Values>> N :: 116.28(3.52) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.729 CA :: 55.668 CB :: 65.225 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.444 HA :: 4.907 HB2 :: 4.184 HB3 :: 3.331 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 :: 122.930 Ave N Shift Values>> N :: 116.28(3.52) 1.P86 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 :: 177.837 CA :: 65.872 CB :: 32.351 CG :: 28.578 CD :: 51.248 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 :: 4.302 HB2 :: 1.890 HB3 :: 2.461 HG2 :: 2.253 HG3 :: 2.019 HD2 :: 3.931 HD3 :: 3.593 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.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.711 CA :: 61.932 CB :: 70.724 CG2 :: 21.817 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 :: 7.777 HA :: 4.437 HB :: 4.125 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 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 :: 103.332 Ave N Shift Values>> N :: 115.42(4.75) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 173.294 CA :: 60.431 CB :: 39.294 CG1 :: 27.113 CG2 :: 18.272 CD1 :: 12.943 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 :: 7.613 HA :: 4.328 HB :: 1.884 HG12 :: 1.485 HG13 :: 1.124 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 124.844 Ave N Shift Values>> N :: 121.46(4.28) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.29 R 0.16 G 0.01 C Shift Assignments>> C :: 176.026 CA :: 54.373 CB :: 33.078 CG :: 24.624 CD :: 28.753 CE :: 42.439 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 :: 8.457 HA :: 4.559 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 1.410 HG3 :: 1.322 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.970 HE3 :: 2.890 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 :: 125.356 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 N 0.18 F 0.17 Y 0.17 C 0.1 L 0.1 I 0.01 C Shift Assignments>> C :: 174.326 CA :: 55.294 CB :: 39.509 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 :: 8.849 HA :: 3.921 HB2 :: 2.729 HB3 :: 2.652 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 :: 122.834 Ave N Shift Values>> N :: 120.65(3.86) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.34 R 0.13 G 0.05 C Shift Assignments>> C :: 175.013 CA :: 53.679 CB :: 34.365 CG :: 24.724 CD :: 29.237 CE :: 42.849 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 :: 8.691 HA :: 4.631 HB2 :: 1.927 HB3 :: 1.658 HG2 :: 1.430 HG3 :: 1.430 HD2 :: 1.680 HD3 :: 1.593 HE2 :: 3.073 HE3 :: 3.008 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 :: 122.402 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.661 CA :: 62.883 CB :: 31.759 CG :: 27.988 CD :: 51.259 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 :: 4.832 HB2 :: 1.779 HB3 :: 2.004 HG2 :: 1.824 HG3 :: 1.824 HD2 :: 3.675 HD3 :: 4.249 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.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 174.558 CA :: 59.782 CB :: 33.112 CG1 :: 22.635 CG2 :: 20.215 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 :: 9.299 HA :: 4.834 HB :: 2.459 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 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 :: 123.014 Ave N Shift Values>> N :: 121.14(4.54) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.22 K 0.18 M 0.13 E 0.13 HN Overlap>> 1.V37 1.V37 C Shift Assignments>> C :: 175.014 CA :: 55.054 CB :: 29.987 CG :: 34.385 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 :: 8.613 HA :: 4.634 HB2 :: 1.942 HB3 :: 1.894 HG2 :: 2.281 HG3 :: 2.139 HE21 :: 7.766 HE22 :: 7.119 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 :: 123.788 NE2 :: 110.708 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.45 A 0.06 C Shift Assignments>> C :: 176.322 CA :: 57.282 CB :: 38.385 CG1 :: 27.353 CG2 :: 17.612 CD1 :: 11.885 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 :: 8.436 HA :: 4.980 HB :: 1.911 HG12 :: 1.697 HG13 :: 1.440 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 126.299 Ave N Shift Values>> N :: 121.46(4.28) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.31 G 0.3 K 0.02 C Shift Assignments>> C :: 173.365 CA :: 53.100 CB :: 33.464 CG :: 27.078 CD :: 43.805 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.243 HA :: 5.090 HB2 :: 2.099 HB3 :: 1.816 HG2 :: 1.709 HG3 :: 1.630 HD2 :: 3.045 HD3 :: 2.951 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 :: 124.662 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.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 175.483 CA :: 63.614 CB :: 31.959 CG :: 27.839 CD :: 51.009 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 :: 4.639 HB2 :: 1.957 HB3 :: 2.262 HG2 :: 2.111 HG3 :: 1.677 HD2 :: 3.826 HD3 :: 3.594 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.W98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 175.371 CA :: 57.634 CB :: 31.022 CD1 :: 126.813 CE3 :: 120.374 CZ2 :: 114.806 CZ3 :: 121.731 CH2 :: 124.498 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 :: 8.735 HA :: 4.665 HB2 :: 3.306 HB3 :: 3.115 HD1 :: 7.062 HE1 :: 9.871 HE3 :: 7.438 HZ2 :: 7.331 HZ3 :: 6.749 HH2 :: 6.923 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 :: 125.560 NE1 :: 129.071 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 C 0.07 L 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.667 CA :: 52.770 CB :: 39.365 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 :: 8.212 HA :: 4.674 HB2 :: 2.686 HB3 :: 2.657 HD21 :: 7.543 HD22 :: 6.842 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.935 ND2 :: 112.833 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.04 G 0.01 C Shift Assignments>> C :: 177.505 CA :: 56.009 CB :: 42.191 CG :: 27.112 CD1 :: 24.987 CD2 :: 23.680 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 :: 7.833 HA :: 4.122 HB2 :: 1.557 HB3 :: 1.491 HG :: 1.491 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.336 Ave N Shift Values>> N :: 121.86(3.9) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.615 CA :: 58.992 CB :: 63.850 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.208 HA :: 4.371 HB2 :: 3.877 HB3 :: 3.805 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.378 Ave N Shift Values>> N :: 116.28(3.52) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.13 Y 0.1 N 0.09 K 0.09 C 0.06 C Shift Assignments>> C :: 176.577 CA :: 55.089 CB :: 40.850 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 :: 8.090 HA :: 4.534 HB2 :: 2.500 HB3 :: 2.436 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 :: 122.481 Ave N Shift Values>> N :: 120.65(3.86) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.319 CA :: 58.793 CB :: 63.775 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.138 HA :: 4.360 HB2 :: 3.792 HB3 :: 3.792 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 :: 115.185 Ave N Shift Values>> N :: 116.28(3.52) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.11 F 0.11 Y 0.08 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 175.722 CA :: 54.861 CB :: 41.102 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 :: 8.198 HA :: 4.569 HB2 :: 2.561 HB3 :: 2.508 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 :: 121.537 Ave N Shift Values>> N :: 120.65(3.86) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.37 C 0.2 C Shift Assignments>> C :: 175.206 CA :: 57.963 CB :: 39.509 CD1 :: 131.711 CD2 :: 131.711 CE1 :: 131.301 CE2 :: 131.301 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 :: 7.931 HA :: 4.505 HB2 :: 3.008 HB3 :: 2.928 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 7.174 HE2 :: 7.174 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 :: 119.663 Ave N Shift Values>> N :: 120.45(4.18) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.613 CA :: 62.327 CB :: 32.885 CG1 :: 21.227 CG2 :: 20.805 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 :: 7.816 HA :: 3.992 HB :: 1.952 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 122.287 Ave N Shift Values>> N :: 121.14(4.54) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.35 A 0.13 C Shift Assignments>> C :: 175.689 CA :: 55.554 CB :: 33.063 CG :: 32.146 CE :: 17.092 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 :: 8.302 HA :: 4.370 HB2 :: 2.038 HB3 :: 1.955 HG2 :: 2.528 HG3 :: 2.467 HE1 :: 2.034 HE2 :: 2.034 HE3 :: 2.034 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.810 Ave N Shift Values>> N :: 120.09(3.57) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.13 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.998 CA :: 54.429 CB :: 41.424 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 :: 8.298 HA :: 4.647 HB2 :: 2.733 HB3 :: 2.662 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 :: 121.594 Ave N Shift Values>> N :: 120.65(3.86) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.644 CA :: 58.343 CB :: 63.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.286 HA :: 4.440 HB2 :: 3.854 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.178 Ave N Shift Values>> N :: 116.28(3.52) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.820 CA :: 44.759 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.316 HA2 :: 4.110 HA3 :: 4.110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.708 Ave N Shift Values>> N :: 109.67(3.87) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.351 CA :: 63.281 CB :: 32.193 CG :: 27.294 CD :: 49.793 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 :: 4.480 HB2 :: 1.977 HB3 :: 2.278 HG2 :: 2.003 HG3 :: 2.003 HD2 :: 3.622 HD3 :: 3.587 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.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.657 CA :: 58.302 CB :: 63.855 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.518 HA :: 4.454 HB2 :: 3.868 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.392 Ave N Shift Values>> N :: 116.28(3.52) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.899 CA :: 58.343 CB :: 63.977 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.321 HA :: 4.454 HB2 :: 3.849 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 :: 117.851 Ave N Shift Values>> N :: 116.28(3.52) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 178.959 CA :: 46.101 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.043 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.829 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 492 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 734 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 103 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K10 HE2 = 2.103(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.7080e-05 1.K10 HE3 = 1.931(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.8306e-07 1.R31 HG3 = 0.044(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.4878e-07 1.G33 C = 180.711(S), Expected = 173.87, Std = 1.8800, ChiSquare = 2.7388e-04 1.K42 HB3 = 0.568(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.4200e-05 1.K42 HD3 = -0.057(S), Expected = 1.60, Std = 0.2200, ChiSquare = 5.0039e-14 1.K42 HE3 = 2.162(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.8402e-04 1.P50 HA = 2.651(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.1580e-07 1.L57 HD11 = -0.244(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8523e-04 1.L57 HD12 = -0.244(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8523e-04 1.L57 HD13 = -0.244(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8523e-04 1.S64 HB3 = 2.947(S), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2448e-04