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: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.643 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.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.375 CA :: 65.095 CB :: 31.607 CG :: 27.894 CD :: 50.882 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 :: 4.312 HB2 :: 2.299 HB3 :: 1.886 HG2 :: 2.073 HG3 :: 1.982 HD2 :: 3.804 HD3 :: 3.775 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.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.41 K 0.06 Q 0.01 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> C :: 178.905 CA :: 59.325 CB :: 29.045 CG :: 36.905 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 :: 8.490 HA :: 4.118 HB2 :: 2.058 HB3 :: 2.074 HG2 :: 2.276 HG3 :: 2.387 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 :: 119.481 Ave N Shift Values>> N :: 120.67(3.48) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.08 G 0.02 C Shift Assignments>> C :: 178.789 CA :: 57.759 CB :: 42.464 CG :: 27.043 CD1 :: 25.082 CD2 :: 23.736 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 :: 8.124 HA :: 4.082 HB2 :: 1.791 HB3 :: 1.442 HG :: 1.678 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 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 :: 122.295 Ave N Shift Values>> N :: 121.86(3.9) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 G 0.36 K 0.09 C Shift Assignments>> C :: 178.251 CA :: 60.386 CB :: 30.428 CG :: 28.808 CD :: 43.712 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 :: 8.249 HA :: 3.862 HB2 :: 1.961 HB3 :: 1.946 HG2 :: 1.770 HG3 :: 1.427 HD2 :: 3.161 HD3 :: 3.162 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 :: 118.345 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.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.17 K 0.16 Q 0.1 M 0.02 C Shift Assignments>> C :: 178.835 CA :: 58.686 CB :: 29.171 CG :: 35.941 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 :: 7.755 HA :: 4.138 HB2 :: 2.071 HB3 :: 2.072 HG2 :: 2.326 HG3 :: 2.326 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.642 Ave N Shift Values>> N :: 120.67(3.48) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.18 G 0.01 HN Overlap>> 1.K66 1.Y75 1.K66 1.Y75 C Shift Assignments>> C :: 178.930 CA :: 59.290 CB :: 32.594 CG :: 25.146 CD :: 29.713 CE :: 42.104 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 :: 7.984 HA :: 4.105 HB2 :: 1.951 HB3 :: 1.949 HG2 :: 1.333 HG3 :: 1.565 HD2 :: 1.680 HD3 :: 1.675 HE2 :: 2.943 HE3 :: 2.943 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 :: 121.423 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.02 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> C :: 177.450 CA :: 57.916 CB :: 40.802 CD1 :: 24.852 CD2 :: 22.218 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 :: 8.145 HA :: 3.897 HB2 :: 1.375 HB3 :: 1.794 HD11 :: 0.537 HD12 :: 0.537 HD13 :: 0.537 HD21 :: 1.104 HD22 :: 1.104 HD23 :: 1.104 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 :: 118.488 Ave N Shift Values>> N :: 121.86(3.9) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.12 G 0.12 C Shift Assignments>> C :: 178.397 CA :: 60.391 CB :: 30.083 CG :: 26.533 CD :: 43.116 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 :: 8.037 HA :: 3.592 HB2 :: 1.943 HB3 :: 1.951 HG2 :: 1.530 HG3 :: 1.736 HD2 :: 3.106 HD3 :: 3.275 HE :: 7.713 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 :: 118.268 NE :: 83.251 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.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.03 HN Overlap>> 1.I103 1.I103 C Shift Assignments>> C :: 180.788 CA :: 55.136 CB :: 18.283 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.749 HA :: 4.191 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.242 Ave N Shift Values>> N :: 123.23(3.54) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 R 0.26 G 0.24 C Shift Assignments>> C :: 179.453 CA :: 58.140 CB :: 43.665 CG :: 26.737 CD1 :: 23.303 CD2 :: 26.558 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 :: 8.084 HA :: 4.259 HB2 :: 1.405 HB3 :: 1.919 HG :: 1.913 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 HD21 :: 0.792 HD22 :: 0.792 HD23 :: 0.792 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 :: 119.475 Ave N Shift Values>> N :: 121.86(3.9) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.644 CA :: 65.622 CB :: 37.309 CG1 :: 30.038 CG2 :: 17.419 CD1 :: 13.547 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 :: 8.615 HA :: 3.171 HB :: 1.456 HG12 :: 1.103 HG13 :: -0.032 HG21 :: 0.294 HG22 :: 0.294 HG23 :: 0.294 HD11 :: -0.251 HD12 :: -0.251 HD13 :: -0.251 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 :: 120.117 Ave N Shift Values>> N :: 121.46(4.28) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.35 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> CA :: 59.765 CB :: 29.268 CG :: 36.374 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 :: 7.670 HA :: 3.851 HB2 :: 2.196 HB3 :: 2.196 HG2 :: 2.204 HG3 :: 2.414 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.289 Ave N Shift Values>> N :: 120.67(3.48) 1.Q15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.44 Q 0.2 M 0.2 K 0.09 I 0.05 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> C :: 180.836 CA :: 59.370 CB :: 30.810 CG :: 35.087 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 :: 7.970 HA :: 4.824 HB2 :: 2.705 HB3 :: 3.045(S) HG2 :: 2.833 HG3 :: 3.028 HE21 :: 7.517 HE22 :: 7.104 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 :: 118.103 NE2 :: 111.185 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V16 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.96 P 0.02 I 0.01 C Shift Assignments>> C :: 177.863 CA :: 68.679 CB :: 31.974 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 :: 9.694 HA :: 6.466(A) HB :: 2.658 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.512 Ave N Shift Values>> N :: 121.14(4.54) 1.Y17 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.414 CA :: 61.427 CB :: 37.844 CD1 :: 132.190 CD2 :: 132.190 CE1 :: 117.486 CE2 :: 117.486 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 :: 8.249 HA :: 1.983(S) HB2 :: 2.623 HB3 :: 2.061 HD1 :: 5.877(S) HD2 :: 5.877(S) HE1 :: 5.756(S) HE2 :: 5.756(S) 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 :: 122.568 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.35 I 0.07 V 0.01 C Shift Assignments>> C :: 182.028 CA :: 55.957 CB :: 18.755 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.682 HA :: 3.961 HB1 :: 1.822 HB2 :: 1.822 HB3 :: 1.822 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.659 Ave N Shift Values>> N :: 123.23(3.54) 1.T19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.712 CA :: 66.847 CB :: 73.933 CG2 :: 24.954 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 :: 9.554 HA :: 5.357 HB :: 7.333(S) HG21 :: 3.082(S) HG22 :: 3.082(S) HG23 :: 3.082(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.721 Ave N Shift Values>> N :: 115.42(4.75) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.25 R 0.13 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.098 CA :: 44.483 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.211 HA2 :: 4.032 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.366 Ave N Shift Values>> N :: 109.67(3.87) 1.Q21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 Q 0.31 K 0.24 M 0.03 E 0.01 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> C :: 178.746 CA :: 57.498 CB :: 27.213 CG :: 32.868 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 :: 7.066 HA :: 2.428(S) HB2 :: 1.394 HB3 :: 1.394 HG2 :: 1.157(S) HG3 :: 1.415 HE21 :: 5.980 HE22 :: 5.640 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 :: 118.484 NE2 :: 109.757 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.2 K 0.1 Q 0.06 M 0.04 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 178.386 CA :: 58.990 CB :: 29.664 CG :: 36.274 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 :: 7.709 HA :: 3.711 HB2 :: 2.247 HB3 :: 2.334 HG2 :: 2.374 HG3 :: 2.373 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 :: 119.495 Ave N Shift Values>> N :: 120.67(3.48) 1.M23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.77 Q 0.16 E 0.05 HN Overlap>> 1.M81 1.M81 C Shift Assignments>> C :: 177.110 CA :: 57.940 CB :: 33.544 CG :: 33.638 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 :: 6.965 HA :: 3.854 HB2 :: 2.206 HB3 :: 3.257(A) HG2 :: 0.656(S) HG3 :: 0.780(S) 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 :: 116.359 Ave N Shift Values>> N :: 120.09(3.57) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.05 C Shift Assignments>> C :: 177.383 CA :: 55.556 CB :: 41.219 CG :: 25.559 CD1 :: 23.049 CD2 :: 24.216 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 :: 6.288 HA :: 3.071 HB2 :: 0.601 HB3 :: 0.824 HG :: 0.520 HD11 :: -0.165 HD12 :: -0.165 HD13 :: -0.165 HD21 :: -0.125 HD22 :: -0.125 HD23 :: -0.125 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 :: 116.873 Ave N Shift Values>> N :: 121.86(3.9) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 175.888 CA :: 56.890 CB :: 32.892 CG :: 24.775 CD :: 29.065 CE :: 41.984 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 :: 6.750 HA :: 3.778 HB2 :: 1.545 HB3 :: 1.655 HG2 :: 1.103 HG3 :: 1.203 HD2 :: 1.441 HD3 :: 1.439 HE2 :: 2.721 HE3 :: 2.721 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 :: 115.168 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.32 L 0.1 F 0.05 Y 0.04 C Shift Assignments>> CA :: 52.193 CB :: 40.014 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 :: 7.225 HA :: 4.705 HB2 :: 2.473 HB3 :: 2.613 HD21 :: 6.943 HD22 :: 7.511 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 :: 116.477 ND2 :: 114.271 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 64.282 CB :: 68.997 CG2 :: 22.049 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 :: 3.874 HB :: 4.116 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S86 1.S86 C Shift Assignments>> C :: 173.164 CA :: 57.471 CB :: 64.018 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.777 HA :: 4.439 HB2 :: 3.652 HB3 :: 3.651 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 :: 115.573 Ave N Shift Values>> N :: 116.28(3.52) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.21 N 0.19 F 0.06 K 0.06 Y 0.04 HN Overlap>> 1.N87 1.N87 C Shift Assignments>> CA :: 52.956 CB :: 41.084 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 :: 8.691 HA :: 4.839 HB2 :: 2.425 HB3 :: 2.434 HD21 :: 7.578 HD22 :: 6.848 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 :: 121.455 ND2 :: 114.872 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S88 1.S88 C Shift Assignments>> CA :: 57.060 CB :: 63.185 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.595 HA :: 4.667 HB2 :: 4.079 HB3 :: 4.310 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 :: 118.335 Ave N Shift Values>> N :: 116.28(3.52) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.385 CA :: 65.590 CB :: 32.060 CD :: 50.781 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 :: 4.304 HB2 :: 2.040 HB3 :: 2.400 HG2 :: 2.199 HG3 :: 2.019 HD2 :: 3.896 HD3 :: 3.974 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.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 E 0.35 K 0.03 HN Overlap>> 1.E90 1.E90 C Shift Assignments>> C :: 179.612 CA :: 60.521 CB :: 29.440 CG :: 37.126 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 :: 8.779 HA :: 4.416 HB2 :: 2.275 HB3 :: 2.345 HG2 :: 2.536 HG3 :: 2.619 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 :: 117.654 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.52 R 0.42 G 0.04 HN Overlap>> 1.L91 1.L91 C Shift Assignments>> C :: 179.738 CA :: 58.615 CB :: 42.670 CG :: 27.947 CD1 :: 26.244 CD2 :: 24.499 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 :: 8.222 HA :: 5.179 HB2 :: 2.178 HB3 :: 2.390 HG :: 2.530 HD11 :: 1.369 HD12 :: 1.369 HD13 :: 1.369 HD21 :: 1.766(S) HD22 :: 1.766(S) HD23 :: 1.766(S) 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 :: 123.668 Ave N Shift Values>> N :: 121.86(3.9) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.38 K 0.1 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> C :: 179.838 CA :: 61.356 CB :: 31.227 CG :: 28.467 CD :: 43.606 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 :: 8.495 HA :: 5.164 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 1.168 HG3 :: 1.616 HD2 :: 2.614 HD3 :: 2.727 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 :: 119.524 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.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.17 K 0.17 Q 0.12 M 0.02 C Shift Assignments>> C :: 179.119 CA :: 59.057 CB :: 29.286 CG :: 35.774 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 :: 8.738 HA :: 4.867 HB2 :: 2.484 HB3 :: 2.484 HG2 :: 2.687 HG3 :: 2.687 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 :: 119.080 Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.66 K 0.23 G 0.09 C Shift Assignments>> C :: 181.203 CA :: 61.199 CB :: 34.052 CG :: 26.291 CD :: 30.427 CE :: 42.730 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 :: 9.106 HA :: 5.334 HB2 :: 3.519(S) HB3 :: 3.170(S) HG2 :: 2.708(S) HG3 :: 2.706(S) HD2 :: 2.576(S) HD3 :: 2.585(S) HE2 :: 3.636(S) HE3 :: 3.636(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 :: 122.407 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.03 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 180.711 CA :: 61.040 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 :: 11.414(S) HA :: 5.345 HB2 :: 3.190 HB3 :: 3.517 HD1 :: 7.925 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 :: 121.888 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.87 G 0.12 C Shift Assignments>> C :: 178.685 CA :: 61.413 CB :: 30.716 CG :: 25.774 CD :: 42.669 CZ :: 159.472 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 :: 10.979(S) HA :: 4.207 HB2 :: 2.105 HB3 :: 2.493 HG2 :: 0.785 HG3 :: 1.340 HD2 :: 2.883 HD3 :: 2.690 HE :: 8.032 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 :: 121.443 NE :: 82.538 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.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.3 I 0.09 V 0.02 C Shift Assignments>> C :: 182.655 CA :: 56.249 CB :: 18.817 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.903 HA :: 4.403 HB1 :: 2.100 HB2 :: 2.100 HB3 :: 2.100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.662 Ave N Shift Values>> N :: 123.23(3.54) 1.L40 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.66 R 0.3 L 0.02 C Shift Assignments>> C :: 179.596 CA :: 58.683 CB :: 44.591 CG :: 28.813 CD1 :: 23.787 CD2 :: 28.331 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 :: 9.884 HA :: 4.729 HB2 :: 2.373 HB3 :: 4.167(A) HG :: 2.367 HD11 :: 1.568 HD12 :: 1.568 HD13 :: 1.568 HD21 :: 3.111(A) HD22 :: 3.111(A) HD23 :: 3.111(A) 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 :: 120.631 Ave N Shift Values>> N :: 121.86(3.9) 1.A41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.72 A 0.22 I 0.04 C Shift Assignments>> C :: 180.438 CA :: 55.301 CB :: 16.925 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.873 HA :: 3.412 HB1 :: -0.166(S) HB2 :: -0.166(S) HB3 :: -0.166(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.383 Ave N Shift Values>> N :: 123.23(3.54) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 I 0.16 E 0.14 K 0.13 Q 0.1 H 0.1 R 0.09 V 0.02 M 0.01 C Shift Assignments>> C :: 179.144 CA :: 59.676 CB :: 29.138 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 :: 8.553 HA :: 3.835 HB2 :: 2.116 HB3 :: 2.116 HG2 :: 2.196 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 :: 121.744 Ave N Shift Values>> N :: 120.67(3.48) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 E 0.29 K 0.27 I 0.06 M 0.05 R 0.01 C Shift Assignments>> C :: 179.950 CA :: 59.104 CB :: 29.602 CG :: 34.668 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 :: 7.907 HA :: 4.219 HB2 :: 2.453 HB3 :: 2.455 HG2 :: 2.464 HG3 :: 2.739 HE21 :: 7.391 HE22 :: 6.984 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 :: 119.975 NE2 :: 110.886 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.968 CA :: 66.663 CB :: 31.279 CG1 :: 21.675 CG2 :: 25.243 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 :: 8.864 HA :: 3.244 HB :: 1.837 HG11 :: 0.318 HG12 :: 0.318 HG13 :: 0.318 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 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 :: 123.310 Ave N Shift Values>> N :: 121.14(4.54) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.276 CA :: 62.437 CB :: 37.980 CD1 :: 132.337 CD2 :: 132.337 CE1 :: 117.577 CE2 :: 117.577 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 :: 7.647 HA :: 3.664 HB2 :: 2.416 HB3 :: 2.702 HD1 :: 6.274 HD2 :: 6.274 HE1 :: 6.155 HE2 :: 6.155 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 :: 120.668 Ave N Shift Values>> N :: 120.52(4.2) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.03 C Shift Assignments>> C :: 180.927 CA :: 55.118 CB :: 18.382 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.869 HA :: 3.984 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.389 Ave N Shift Values>> N :: 123.23(3.54) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.571 CA :: 67.203 CB :: 68.133 CG2 :: 22.198 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 :: 8.140 HA :: 3.895 HB :: 4.024 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 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 :: 116.203 Ave N Shift Values>> N :: 115.42(4.75) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 I 0.19 E 0.13 K 0.11 H 0.09 R 0.09 Q 0.08 V 0.04 M 0.01 C Shift Assignments>> C :: 176.627 CA :: 60.155 CB :: 29.338 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 :: 8.527 HA :: 4.351 HB2 :: 3.089 HB3 :: 3.092 HE3 :: 7.211 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 :: 123.084 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 R 0.17 E 0.04 I 0.02 M 0.02 C Shift Assignments>> C :: 178.960 CA :: 58.705 CB :: 27.978 CG :: 33.468 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 :: 7.765 HA :: 3.457 HB2 :: 1.835 HB3 :: 1.837 HG2 :: 1.894 HG3 :: 2.045 HE21 :: 6.580 HE22 :: 5.963 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 :: 113.878 NE2 :: 110.661 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.22 K 0.13 Q 0.08 M 0.02 C Shift Assignments>> C :: 178.508 CA :: 59.339 CB :: 29.419 CG :: 36.004 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 :: 7.544 HA :: 3.879 HB2 :: 2.043 HB3 :: 2.091 HG2 :: 1.849 HG3 :: 1.849 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 :: 120.053 Ave N Shift Values>> N :: 120.67(3.48) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 R 0.29 K 0.27 G 0.01 C Shift Assignments>> C :: 178.932 CA :: 57.905 CB :: 41.867 CD1 :: 26.892 CD2 :: 26.911 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 :: 8.010 HA :: 3.902 HB2 :: 1.397 HB3 :: 1.718 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.540 HD22 :: 0.540 HD23 :: 0.540 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 :: 120.804 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.01 G 0.01 C Shift Assignments>> C :: 180.160 CA :: 56.956 CB :: 41.895 CD1 :: 24.598 CD2 :: 22.828 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 :: 7.631 HA :: 3.777 HB2 :: 1.240 HB3 :: 1.100 HG :: 0.731 HD11 :: 0.380 HD12 :: 0.380 HD13 :: 0.380 HD21 :: 0.342 HD22 :: 0.342 HD23 :: 0.342 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 :: 117.550 Ave N Shift Values>> N :: 121.86(3.9) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.12 G 0.01 HN Overlap>> 1.E22 1.E22 1.L70 1.L70 C Shift Assignments>> C :: 177.926 CA :: 58.732 CB :: 32.755 CG :: 24.845 CD :: 29.340 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 :: 7.733 HA :: 3.961 HB2 :: 1.777 HB3 :: 1.777 HG2 :: 1.400 HG3 :: 1.400 HD2 :: 1.563 HD3 :: 1.563 HE2 :: 2.837 HE3 :: 2.837 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 :: 119.557 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.21 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 176.303 CA :: 53.225 CB :: 38.932 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 :: 7.891 HA :: 4.639 HB2 :: 2.811 HB3 :: 2.908 HD21 :: 7.614 HD22 :: 6.626 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 :: 115.187 ND2 :: 111.026 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.781 CA :: 45.977 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.740 HA2 :: 3.866 HA3 :: 4.033 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.531 Ave N Shift Values>> N :: 109.67(3.87) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.225 CA :: 60.240 CB :: 63.787 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.282 HA :: 4.276 HB2 :: 3.845 HB3 :: 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 :: 115.648 Ave N Shift Values>> N :: 116.28(3.52) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.340 CB :: 33.794 CG1 :: 20.757 CG2 :: 21.866 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 :: 7.524 HA :: 4.161 HB :: 1.826 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 116.564 Ave N Shift Values>> N :: 121.14(4.54) 1.S58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.522 HA :: 4.656 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.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.127 CA :: 62.566 CB :: 32.035 CG :: 27.038 CD :: 50.341 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 :: 4.541 HB2 :: 2.211 HB3 :: 1.973 HG2 :: 1.842 HG3 :: 1.892 HD2 :: 3.499 HD3 :: 3.591 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.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.214 CB :: 62.983 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.298 HA :: 4.662 HB2 :: 3.962 HB3 :: 4.135 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 :: 116.855 Ave N Shift Values>> N :: 116.28(3.52) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 I 0.01 C Shift Assignments>> C :: 179.133 CA :: 65.996 CB :: 32.210 CG :: 26.943 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>> HG2 :: 1.841 HG3 :: 1.886 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 E 0.4 K 0.04 C Shift Assignments>> C :: 179.180 CA :: 59.939 CB :: 29.106 CG :: 36.997 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 :: 8.686 HA :: 4.069 HB2 :: 1.935 HB3 :: 2.024 HG2 :: 2.313 HG3 :: 2.313 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 :: 117.066 Ave N Shift Values>> N :: 120.67(3.48) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 G 0.01 C Shift Assignments>> C :: 178.811 CA :: 57.292 CB :: 42.020 CG :: 27.383 CD1 :: 24.558 CD2 :: 24.243 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 :: 7.705 HA :: 4.205 HB2 :: 1.578 HB3 :: 1.707 HG :: 1.559 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 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 :: 121.867 Ave N Shift Values>> N :: 121.86(3.9) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 V 0.18 E 0.11 R 0.1 I 0.09 H 0.08 P 0.06 Q 0.05 K 0.05 M 0.03 C Shift Assignments>> C :: 178.687 CA :: 60.709 CB :: 30.626 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 :: 8.497 HA :: 3.868 HB2 :: 1.903 HB3 :: 1.982 HG2 :: 1.570 HG3 :: 1.722 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 :: 118.894 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.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.19 I 0.14 Q 0.13 M 0.02 C Shift Assignments>> C :: 178.559 CA :: 58.491 CB :: 29.038 CG :: 35.787 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 :: 8.003 HA :: 4.312 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 2.329 HG3 :: 2.436 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 :: 117.938 Ave N Shift Values>> N :: 120.67(3.48) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.18 G 0.01 HN Overlap>> 1.Y75 1.K8 1.Y75 1.K8 C Shift Assignments>> C :: 179.074 CA :: 59.554 CB :: 32.868 CG :: 25.196 CD :: 29.758 CE :: 42.093 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 :: 7.932 HA :: 4.118 HB2 :: 1.997 HB3 :: 1.935 HG2 :: 1.356 HG3 :: 1.606 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.953 HE3 :: 2.953 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 :: 121.428 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 176.087 CA :: 61.904 CB :: 39.497 CD1 :: 130.720 CD2 :: 130.720 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 :: 8.622 HA :: 4.014 HB2 :: 2.914 HB3 :: 3.012 HD1 :: 6.683 HD2 :: 6.683 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 :: 118.584 Ave N Shift Values>> N :: 120.45(4.18) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.22 E 0.15 R 0.12 H 0.11 I 0.11 Q 0.08 K 0.08 V 0.06 M 0.03 HN Overlap>> 1.L9 1.L9 C Shift Assignments>> CA :: 59.909 CB :: 29.956 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 :: 8.248 HA :: 3.597 HB2 :: 2.071 HB3 :: 1.979 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 :: 118.501 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.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.04 HN Overlap>> 1.L109 1.L109 C Shift Assignments>> C :: 180.936 CA :: 55.304 CB :: 18.285 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.869 HA :: 4.119 HB1 :: 1.551 HB2 :: 1.551 HB3 :: 1.551 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.676 Ave N Shift Values>> N :: 123.23(3.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 G 0.13 K 0.03 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 178.844 CA :: 58.028 CB :: 43.116 CD1 :: 23.887 CD2 :: 25.919 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 :: 7.709 HA :: 4.247 HB2 :: 1.343 HB3 :: 1.752 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 119.630 Ave N Shift Values>> N :: 121.86(3.9) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 179.601 CA :: 57.638 CB :: 40.818 CG :: 26.149 CD1 :: 24.284 CD2 :: 24.514 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 :: 8.442 HA :: 3.491 HB2 :: 1.148 HB3 :: 0.633 HG :: 0.840 HD11 :: -0.013 HD12 :: -0.013 HD13 :: -0.013 HD21 :: 0.011 HD22 :: 0.011 HD23 :: 0.011 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 :: 120.088 Ave N Shift Values>> N :: 121.86(3.9) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.34 K 0.09 Q 0.04 M 0.01 C Shift Assignments>> C :: 180.134 CA :: 59.638 CB :: 29.172 CG :: 36.367 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 :: 8.267 HA :: 3.955 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.310 HG3 :: 2.398 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 :: 117.396 Ave N Shift Values>> N :: 120.67(3.48) 1.Q73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.5 M 0.19 Q 0.16 K 0.07 I 0.06 HN Overlap>> 1.Q15 1.Q15 C Shift Assignments>> C :: 181.052 CA :: 59.586 CB :: 30.877 CG :: 35.299 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 :: 7.948 HA :: 4.855 HB2 :: 2.810 HB3 :: 3.065(S) HG2 :: 2.844 HG3 :: 3.059 HE21 :: 7.137 HE22 :: 7.518 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 :: 118.159 NE2 :: 111.234 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V74 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.048 CA :: 69.335 CB :: 31.991 CG1 :: 19.038 CG2 :: 20.011 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 :: 9.444 HA :: 6.490(A) HB :: 2.663 HG11 :: 0.545 HG12 :: 0.545 HG13 :: 0.545 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.427 Ave N Shift Values>> N :: 121.14(4.54) 1.Y75 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.K66 1.K66 1.K8 1.K8 C Shift Assignments>> C :: 176.863 CA :: 62.096 CB :: 37.302 CD1 :: 132.238 CD2 :: 132.238 CE1 :: 116.657 CE2 :: 116.657 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 :: 7.971 HA :: 1.883(S) HB2 :: 2.237 HB3 :: 2.189 HD1 :: 5.932(S) HD2 :: 5.932(S) HE1 :: 5.460(S) HE2 :: 5.460(S) 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 :: 121.421 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.07 V 0.02 C Shift Assignments>> C :: 182.066 CA :: 56.010 CB :: 18.773 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.767 HA :: 4.010 HB1 :: 1.805 HB2 :: 1.805 HB3 :: 1.805 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.136 Ave N Shift Values>> N :: 123.23(3.54) 1.T77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.830 CA :: 66.810 CB :: 73.929 CG2 :: 24.945 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 :: 9.615 HA :: 5.359 HB :: 7.337(S) HG21 :: 3.086(S) HG22 :: 3.086(S) HG23 :: 3.086(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.973 Ave N Shift Values>> N :: 115.42(4.75) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.24 R 0.12 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.442 CA :: 44.524 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.391 HA2 :: 3.959 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.124 Ave N Shift Values>> N :: 109.67(3.87) 1.Q79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.34 K 0.31 R 0.26 M 0.03 E 0.01 I 0.01 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 178.616 CA :: 57.653 CB :: 27.663 CG :: 33.113 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 :: 7.012 HA :: 2.427(S) HB2 :: 1.306 HB3 :: 1.386 HG2 :: 0.771(S) HG3 :: 1.256(S) HE21 :: 5.990 HE22 :: 5.651 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 :: 118.387 NE2 :: 109.751 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.19 K 0.11 Q 0.06 M 0.03 C Shift Assignments>> C :: 178.334 CA :: 58.951 CB :: 29.643 CG :: 36.274 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 :: 7.649 HA :: 3.709 HB2 :: 2.248 HB3 :: 2.342 HG2 :: 2.373 HG3 :: 2.374 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 :: 119.250 Ave N Shift Values>> N :: 120.67(3.48) 1.M81 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.77 Q 0.16 E 0.05 HN Overlap>> 1.M23 1.M23 C Shift Assignments>> C :: 177.110 CA :: 57.940 CB :: 33.544 CG :: 33.638 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 :: 6.964 HA :: 3.870 HB2 :: 2.206 HB3 :: 3.257(A) HG2 :: 0.656(S) HG3 :: 0.780(S) 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 :: 116.388 Ave N Shift Values>> N :: 120.09(3.57) 1.L82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.94 A 0.04 C Shift Assignments>> C :: 177.324 CA :: 55.617 CB :: 41.294 CG :: 25.559 CD1 :: 23.108 CD2 :: 24.216 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 :: 6.286 HA :: 3.031 HB2 :: 0.543 HB3 :: 0.796 HG :: 0.520 HD11 :: -0.175(S) HD12 :: -0.175(S) HD13 :: -0.175(S) HD21 :: -0.121 HD22 :: -0.121 HD23 :: -0.121 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 :: 117.008 Ave N Shift Values>> N :: 121.86(3.9) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 1.K25 1.K25 C Shift Assignments>> C :: 175.860 CA :: 56.950 CB :: 32.901 CG :: 24.744 CD :: 29.065 CE :: 41.984 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 :: 6.735 HA :: 3.780 HB2 :: 1.657 HB3 :: 1.547 HG2 :: 1.202 HG3 :: 1.105 HD2 :: 1.436 HD3 :: 1.436 HE2 :: 2.717 HE3 :: 2.717 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 :: 115.057 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.34 L 0.11 F 0.06 Y 0.04 C Shift Assignments>> CA :: 52.354 CB :: 40.142 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 :: 7.183 HA :: 4.720 HB2 :: 2.466 HB3 :: 2.604 HD21 :: 7.516 HD22 :: 6.941 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 :: 116.347 ND2 :: 114.182 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.888 CA :: 64.282 CB :: 68.854 CG2 :: 22.049 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 :: 3.878 HB :: 4.107 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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.S86 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 :: 173.164 CA :: 57.417 CB :: 64.070 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.766 HA :: 4.451 HB2 :: 3.651 HB3 :: 3.650 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 :: 115.525 Ave N Shift Values>> N :: 116.28(3.52) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.22 L 0.19 F 0.07 K 0.05 Y 0.05 HN Overlap>> 1.N29 1.N29 C Shift Assignments>> CA :: 52.956 CB :: 40.920 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 :: 8.701 HA :: 4.838 HB2 :: 2.441 HB3 :: 2.444 HD21 :: 7.578 HD22 :: 6.772 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 :: 121.423 ND2 :: 114.709 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S30 1.S30 C Shift Assignments>> CA :: 57.060 CB :: 63.185 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.590 HA :: 4.667 HB2 :: 4.081 HB3 :: 4.310 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 :: 118.335 Ave N Shift Values>> N :: 116.28(3.52) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.292 CA :: 65.522 CB :: 32.074 CG :: 27.897 CD :: 50.778 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 :: 4.282 HB2 :: 2.017 HB3 :: 2.377 HG2 :: 2.016 HG3 :: 2.207 HD2 :: 3.894 HD3 :: 3.975 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.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.36 K 0.03 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 179.570 CA :: 60.465 CB :: 29.430 CG :: 37.070 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 :: 8.747 HA :: 4.407 HB2 :: 2.262 HB3 :: 2.320 HG2 :: 2.538 HG3 :: 2.619 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 :: 117.563 Ave N Shift Values>> N :: 120.67(3.48) 1.L91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.47 R 0.46 G 0.04 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 179.962 CA :: 58.669 CB :: 42.649 CG :: 27.983 CD1 :: 24.525 CD2 :: 26.195 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 :: 8.145 HA :: 5.159 HB2 :: 2.158 HB3 :: 2.369 HG :: 2.527 HD11 :: 1.766(S) HD12 :: 1.766(S) HD13 :: 1.766(S) HD21 :: 1.374 HD22 :: 1.374 HD23 :: 1.374 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 :: 123.651 Ave N Shift Values>> N :: 121.86(3.9) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 K 0.3 R 0.23 M 0.03 Q 0.01 C Shift Assignments>> C :: 179.684 CA :: 61.374 CB :: 30.964 CG :: 28.795 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 :: 8.591 HA :: 5.352 HB2 :: 1.958 HB3 :: 2.046 HG2 :: 1.302 HG3 :: 1.302 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 :: 119.619 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.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.18 K 0.17 Q 0.12 M 0.02 C Shift Assignments>> C :: 179.121 CA :: 59.077 CB :: 29.187 CG :: 35.764 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 :: 8.706 HA :: 4.772 HB2 :: 2.433 HB3 :: 2.433 HG2 :: 2.649 HG3 :: 2.646 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.873 Ave N Shift Values>> N :: 120.67(3.48) 1.K94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.66 K 0.24 G 0.09 C Shift Assignments>> C :: 181.077 CA :: 61.071 CB :: 34.072 CG :: 26.291 CD :: 30.427 CE :: 42.730 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 :: 9.001 HA :: 5.334 HB2 :: 3.505(S) HB3 :: 3.152(S) HG2 :: 2.709(S) HG3 :: 2.706(S) HD2 :: 2.577(S) HD3 :: 2.582(S) HE2 :: 3.640(S) HE3 :: 3.640(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 :: 122.287 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.5 K 0.1 Q 0.08 M 0.05 P 0.04 W 0.04 I 0.04 R 0.02 E 0.02 H 0.02 Y 0.01 C Shift Assignments>> CA :: 61.007 CB :: 33.905 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 :: 11.349(S) HA :: 5.336 HB2 :: 3.144 HB3 :: 3.510 HD1 :: 8.110 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 :: 121.679 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.89 G 0.1 C Shift Assignments>> C :: 180.719 CA :: 61.492 CB :: 30.571 CG :: 25.990 CD :: 42.585 CZ :: 159.501 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 :: 10.982(S) HA :: 4.200 HB2 :: 2.086 HB3 :: 2.473 HG2 :: 0.864 HG3 :: 1.335 HD2 :: 2.738 HD3 :: 2.936 HE :: 8.131 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 :: 121.328 NE :: 82.471 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.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.3 I 0.08 V 0.02 C Shift Assignments>> C :: 182.767 CA :: 56.236 CB :: 18.791 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.007 HA :: 4.400 HB1 :: 2.115 HB2 :: 2.115 HB3 :: 2.115 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.294 Ave N Shift Values>> N :: 123.23(3.54) 1.L98 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.64 R 0.32 L 0.01 C Shift Assignments>> C :: 179.509 CA :: 58.754 CB :: 44.551 CG :: 28.857 CD1 :: 23.749 CD2 :: 28.315 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 :: 9.845 HA :: 4.728 HB2 :: 2.403 HB3 :: 4.164(A) HG :: 2.366 HD11 :: 1.561 HD12 :: 1.561 HD13 :: 1.561 HD21 :: 3.114(A) HD22 :: 3.114(A) HD23 :: 3.114(A) 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 :: 120.502 Ave N Shift Values>> N :: 121.86(3.9) 1.A99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.65 A 0.29 I 0.05 C Shift Assignments>> C :: 179.159 CA :: 55.497 CB :: 17.761 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.042 HA :: 3.511 HB1 :: 0.214(S) HB2 :: 0.214(S) HB3 :: 0.214(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.627 Ave N Shift Values>> N :: 123.23(3.54) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.25 K 0.12 Q 0.06 M 0.02 C Shift Assignments>> C :: 179.518 CA :: 59.418 CB :: 29.331 CG :: 36.119 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 :: 8.368 HA :: 3.585 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.049 HG3 :: 2.211 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 :: 117.468 Ave N Shift Values>> N :: 120.67(3.48) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 Q 0.3 K 0.26 M 0.06 I 0.05 R 0.01 C Shift Assignments>> C :: 179.513 CA :: 58.989 CB :: 29.629 CG :: 34.714 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 :: 7.711 HA :: 4.182 HB2 :: 2.311 HB3 :: 2.461 HG2 :: 2.738 HG3 :: 2.456 HE21 :: 6.988 HE22 :: 7.400 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 :: 118.878 NE2 :: 110.919 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.962 CA :: 66.743 CB :: 31.088 CG1 :: 21.385 CG2 :: 24.513 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 :: 8.657 HA :: 3.486 HB :: 1.819 HG11 :: 0.312 HG12 :: 0.312 HG13 :: 0.312 HG21 :: 0.546 HG22 :: 0.546 HG23 :: 0.546 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 :: 122.541 Ave N Shift Values>> N :: 121.14(4.54) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 177.598 CA :: 64.418 CB :: 36.609 CG1 :: 28.450 CG2 :: 16.995 CD1 :: 12.018 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 :: 7.715 HA :: 3.606 HB :: 1.391 HG12 :: 0.616 HG13 :: 0.738 HG21 :: 0.394 HG22 :: 0.394 HG23 :: 0.394 HD11 :: -0.152 HD12 :: -0.152 HD13 :: -0.152 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 :: 120.274 Ave N Shift Values>> N :: 121.46(4.28) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.03 C Shift Assignments>> C :: 180.803 CA :: 55.107 CB :: 18.178 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.511 HA :: 4.024 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.150 Ave N Shift Values>> N :: 123.23(3.54) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.068 CA :: 66.758 CB :: 68.486 CG2 :: 21.964 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 :: 7.985 HA :: 3.948 HB :: 4.072 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 115.285 Ave N Shift Values>> N :: 115.42(4.75) 1.W106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 W 0.19 K 0.12 E 0.11 Q 0.08 H 0.08 R 0.07 V 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 177.372 CA :: 60.297 CB :: 28.820 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 :: 8.609 HA :: 3.947 HB2 :: 2.969 HB3 :: 3.235 HD1 :: 6.551 HE3 :: 6.549 HZ2 :: 6.558 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 :: 123.801 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.32 R 0.15 E 0.07 I 0.04 M 0.01 C Shift Assignments>> C :: 178.793 CA :: 58.918 CB :: 27.878 CG :: 33.810 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 :: 7.745 HA :: 3.627 HB2 :: 1.924 HB3 :: 2.021 HG2 :: 2.233 HG3 :: 2.337 HE21 :: 7.068 HE22 :: 6.630 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 :: 114.126 NE2 :: 110.691 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.14 K 0.14 Q 0.1 M 0.04 C Shift Assignments>> C :: 178.893 CA :: 58.757 CB :: 29.629 CG :: 35.973 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 :: 7.254 HA :: 3.949 HB2 :: 2.083 HB3 :: 2.106 HG2 :: 2.219 HG3 :: 2.276 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 :: 117.723 Ave N Shift Values>> N :: 120.67(3.48) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> C :: 178.290 CA :: 57.547 CB :: 42.200 CG :: 27.360 CD1 :: 24.630 CD2 :: 24.595 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 :: 7.873 HA :: 3.942 HB2 :: 1.282 HB3 :: 1.624 HG :: 1.535 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: 0.361 HD22 :: 0.361 HD23 :: 0.361 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 :: 119.571 Ave N Shift Values>> N :: 121.86(3.9) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.09 G 0.01 C Shift Assignments>> C :: 176.937 CA :: 55.022 CB :: 41.895 CD1 :: 22.779 CD2 :: 24.998 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 :: 7.462 HA :: 4.001 HB2 :: 1.304 HB3 :: 1.423 HG :: 0.859 HD11 :: 0.540 HD12 :: 0.540 HD13 :: 0.540 HD21 :: 0.385 HD22 :: 0.385 HD23 :: 0.385 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 :: 116.198 Ave N Shift Values>> N :: 121.86(3.9) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 G 0.01 C Shift Assignments>> C :: 175.583 CA :: 57.408 CB :: 33.071 CG :: 24.782 CD :: 29.554 CE :: 42.226 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 :: 7.066 HA :: 4.055 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.455 HG3 :: 1.377 HD2 :: 1.599 HD3 :: 1.599 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 :: 119.614 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 F 0.14 Y 0.11 N 0.11 K 0.07 C Shift Assignments>> CA :: 54.968 CB :: 40.711 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 :: 7.746 HA :: 4.398 HB2 :: 2.560 HB3 :: 2.704 HD21 :: 7.445 HD22 :: 6.775 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 :: 124.478 ND2 :: 112.797 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.FDD1 Overall Status: Residue type FDD not supported. ########################################################################### Overall Results: #Consistent: 87 #Clerical: 0 #Suspicious: 19 #Anomalous: 6 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 2 C Shift Results: #Consistent: 457 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 702 #Duplicate: 0 #Unknown: 0 #Suspicious: 64 #Anomalous: 12 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q15 HB3 = 3.045(S), Expected = 2.02, Std = 0.2800, ChiSquare = 2.5151e-04 1.V16 HA = 6.466(A), Expected = 4.19, Std = 0.5800, ChiSquare = 8.7041e-05 1.Y17 HA = 1.983(S), Expected = 4.63, Std = 0.5600, ChiSquare = 2.2810e-06 1.Y17 HD1 = 5.877(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.4811e-04 1.Y17 HD2 = 5.877(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.4811e-04 1.Y17 HE1 = 5.756(S), Expected = 6.70, Std = 0.2300, ChiSquare = 4.0546e-05 1.Y17 HE2 = 5.756(S), Expected = 6.71, Std = 0.2300, ChiSquare = 3.3565e-05 1.Y17 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y17 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.T19 HB = 7.333(S), Expected = 4.17, Std = 0.3300, ChiSquare = 9.2593e-22 1.T19 HG21 = 3.082(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0803e-17 1.T19 HG22 = 3.082(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0803e-17 1.T19 HG23 = 3.082(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0803e-17 1.Q21 HA = 2.428(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.8346e-05 1.Q21 HG2 = 1.157(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.6518e-05 1.M23 HB3 = 3.257(A), Expected = 1.99, Std = 0.3400, ChiSquare = 1.9418e-04 1.M23 HG2 = 0.656(S), Expected = 2.42, Std = 0.3500, ChiSquare = 4.6553e-07 1.M23 HG3 = 0.780(S), Expected = 2.39, Std = 0.3800, ChiSquare = 2.2669e-05 1.L33 HD21 = 1.766(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.5371e-04 1.L33 HD22 = 1.766(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.5371e-04 1.L33 HD23 = 1.766(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.5371e-04 1.K36 HB2 = 3.519(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.5007e-12 1.K36 HB3 = 3.170(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.1818e-07 1.K36 HG2 = 2.708(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.6588e-07 1.K36 HG3 = 2.706(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.2799e-06 1.K36 HD2 = 2.576(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.1288e-05 1.K36 HD3 = 2.585(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.5603e-06 1.K36 HE2 = 3.636(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.6428e-04 1.K36 HE3 = 3.636(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.8342e-04 1.H37 H = 11.414(S), Expected = 8.24, Std = 0.6800, ChiSquare = 3.0467e-06 1.R38 H = 10.979(S), Expected = 8.24, Std = 0.6100, ChiSquare = 7.1168e-06 1.L40 HB3 = 4.167(A), Expected = 1.52, Std = 0.3600, ChiSquare = 1.9413e-13 1.L40 HD21 = 3.111(A), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2055e-16 1.L40 HD22 = 3.111(A), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2055e-16 1.L40 HD23 = 3.111(A), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2055e-16 1.A41 HB1 = -0.166(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.5172e-09 1.A41 HB2 = -0.166(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.5172e-09 1.A41 HB3 = -0.166(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.5172e-09 1.Q73 HB3 = 3.065(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.8986e-04 1.V74 HA = 6.490(A), Expected = 4.19, Std = 0.5800, ChiSquare = 7.3237e-05 1.Y75 HA = 1.883(S), Expected = 4.63, Std = 0.5600, ChiSquare = 9.3257e-07 1.Y75 HD1 = 5.932(S), Expected = 6.93, Std = 0.3000, ChiSquare = 8.7891e-04 1.Y75 HD2 = 5.932(S), Expected = 6.93, Std = 0.3000, ChiSquare = 8.7891e-04 1.Y75 HE1 = 5.460(S), Expected = 6.70, Std = 0.2300, ChiSquare = 6.9948e-08 1.Y75 HE2 = 5.460(S), Expected = 6.71, Std = 0.2300, ChiSquare = 5.4863e-08 1.Y75 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y75 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.T77 HB = 7.337(S), Expected = 4.17, Std = 0.3300, ChiSquare = 8.2329e-22 1.T77 HG21 = 3.086(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.6539e-17 1.T77 HG22 = 3.086(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.6539e-17 1.T77 HG23 = 3.086(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.6539e-17 1.Q79 HA = 2.427(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.8064e-05 1.Q79 HG2 = 0.771(S), Expected = 2.32, Std = 0.2700, ChiSquare = 9.6347e-09 1.Q79 HG3 = 1.256(S), Expected = 2.29, Std = 0.2900, ChiSquare = 3.6314e-04 1.M81 HB3 = 3.257(A), Expected = 1.99, Std = 0.3400, ChiSquare = 1.9418e-04 1.M81 HG2 = 0.656(S), Expected = 2.42, Std = 0.3500, ChiSquare = 4.6553e-07 1.M81 HG3 = 0.780(S), Expected = 2.39, Std = 0.3800, ChiSquare = 2.2669e-05 1.L82 HD11 = -0.175(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.5462e-04 1.L82 HD12 = -0.175(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.5462e-04 1.L82 HD13 = -0.175(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.5462e-04 1.L91 HD11 = 1.766(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.8499e-04 1.L91 HD12 = 1.766(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.8499e-04 1.L91 HD13 = 1.766(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.8499e-04 1.K94 HB2 = 3.505(S), Expected = 1.78, Std = 0.2500, ChiSquare = 5.2003e-12 1.K94 HB3 = 3.152(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.6985e-07 1.K94 HG2 = 2.709(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.6049e-07 1.K94 HG3 = 2.706(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.2799e-06 1.K94 HD2 = 2.577(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.1054e-05 1.K94 HD3 = 2.582(S), Expected = 1.60, Std = 0.2200, ChiSquare = 8.0580e-06 1.K94 HE2 = 3.640(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.5097e-04 1.K94 HE3 = 3.640(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.6224e-04 1.H95 H = 11.349(S), Expected = 8.24, Std = 0.6800, ChiSquare = 4.8296e-06 1.R96 H = 10.982(S), Expected = 8.24, Std = 0.6100, ChiSquare = 6.9543e-06 1.L98 HB3 = 4.164(A), Expected = 1.52, Std = 0.3600, ChiSquare = 2.0662e-13 1.L98 HD21 = 3.114(A), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0234e-16 1.L98 HD22 = 3.114(A), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0234e-16 1.L98 HD23 = 3.114(A), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0234e-16 1.A99 HB1 = 0.214(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2468e-05 1.A99 HB2 = 0.214(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2468e-05 1.A99 HB3 = 0.214(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2468e-05