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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.228 CA :: 45.351 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.005 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 178.206 CA :: 52.906 CB :: 19.243 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.216 HA :: 4.311 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.701 Ave N Shift Values>> N :: 123.23(3.7) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.13 M 0.12 I 0.1 Q 0.06 C Shift Assignments>> C :: 176.886 CA :: 57.079 CB :: 30.030 CG :: 36.321 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.553 HA :: 4.290 HB2 :: 2.093 HB3 :: 1.993 HG2 :: 2.303 HG3 :: 2.303 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.845 Ave N Shift Values>> N :: 120.68(3.68) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.779 CA :: 58.221 CB :: 64.060 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.276 HA :: 4.487 HB2 :: 3.906 HB3 :: 3.906 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.341 Ave N Shift Values>> N :: 116.3(3.95) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.13 G 0.03 A 0.02 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 177.783 CA :: 55.272 CB :: 42.478 CG :: 27.042 CD1 :: 25.289 CD2 :: 23.349 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.268 HA :: 4.504 HB2 :: 1.732 HB3 :: 1.667 HG :: 1.674 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.716 Ave N Shift Values>> N :: 121.98(4.07) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.154 CA :: 58.822 CB :: 64.170 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.331 HA :: 4.426 HB2 :: 3.956 HB3 :: 3.865 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.767 Ave N Shift Values>> N :: 116.3(3.95) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.936 CA :: 45.487 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.372 HA2 :: 4.100 HA3 :: 3.955 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.338 Ave N Shift Values>> N :: 109.91(4.29) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.13 R 0.1 A 0.01 C Shift Assignments>> C :: 176.050 CA :: 55.082 CB :: 43.392 CG :: 26.398 CD1 :: 25.964 CD2 :: 23.892 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.955 HA :: 4.456 HB2 :: 1.619 HB3 :: 1.255 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.047 Ave N Shift Values>> N :: 121.98(4.07) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.859 CA :: 57.026 CB :: 64.368 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.195 HA :: 4.851 HB2 :: 3.854 HB3 :: 3.854 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.672 Ave N Shift Values>> N :: 116.3(3.95) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.26 R 0.26 C Shift Assignments>> C :: 175.598 CA :: 55.206 CB :: 44.086 CG :: 28.019 CD1 :: 25.449 CD2 :: 25.950 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.714 HA :: 4.808 HB2 :: 1.192 HB3 :: 1.192 HG :: 1.127 HD11 :: 0.333 HD12 :: 0.333 HD13 :: 0.333 HD21 :: 0.335 HD22 :: 0.335 HD23 :: 0.335 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.427 Ave N Shift Values>> N :: 121.98(4.07) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.27 G 0.03 M 0.02 C Shift Assignments>> C :: 174.778 CA :: 54.393 CB :: 35.157 CG :: 24.729 CD :: 29.053 CE :: 42.302 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.277 HA :: 4.732 HB2 :: 1.781 HB3 :: 1.739 HG2 :: 1.323 HG3 :: 1.418 HD2 :: 1.638 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.191 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.23 G 0.04 K 0.01 C Shift Assignments>> C :: 176.638 CA :: 54.824 CB :: 42.612 CG :: 27.147 CD1 :: 24.954 CD2 :: 26.581 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.806 HA :: 4.315 HB2 :: 1.945 HB3 :: 1.435 HG :: 1.287 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.998 HD22 :: 0.998 HD23 :: 0.998 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.797 Ave N Shift Values>> N :: 121.98(4.07) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.221 CA :: 63.776 CB :: 32.895 CG1 :: 21.209 CG2 :: 21.442 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.045 HA :: 4.056 HB :: 1.694 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.482 Ave N Shift Values>> N :: 121.02(4.96) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.38 M 0.02 G 0.01 C Shift Assignments>> C :: 173.314 CA :: 56.486 CB :: 36.057 CG :: 25.006 CD :: 29.182 CE :: 42.005 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.397 HA :: 4.533 HB2 :: 1.834 HB3 :: 1.776 HG2 :: 1.381 HG3 :: 1.318 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.883 HE3 :: 2.938 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.514 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.25 M 0.16 A 0.04 G 0.04 C Shift Assignments>> C :: 173.215 CA :: 55.085 CB :: 36.218 CG :: 23.531 CD :: 30.064 CE :: 42.175 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.833 HA :: 4.939 HB2 :: 1.871 HB3 :: 1.781 HG2 :: 1.524 HG3 :: 1.524 HD2 :: 1.734 HD3 :: 1.810 HE2 :: 3.043 HE3 :: 3.043 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.146 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 E 0.47 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.307 CA :: 54.403 CB :: 32.446 CG :: 36.866 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.239 HA :: 4.928 HB2 :: 2.542 HB3 :: 1.755 HG2 :: 2.319 HG3 :: 2.150 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.884 Ave N Shift Values>> N :: 120.68(3.68) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.581 CA :: 65.486 CB :: 32.055 CG :: 28.198 CD :: 51.163 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.802 HB2 :: 2.113 HB3 :: 1.881 HG2 :: 2.183 HG3 :: 2.040 HD2 :: 3.852 HD3 :: 3.852 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.58 K 0.23 G 0.17 C Shift Assignments>> C :: 176.172 CA :: 53.760 CB :: 31.595 CG :: 28.408 CD :: 43.461 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.297 HA :: 4.504 HB2 :: 2.191 HB3 :: 1.497 HG2 :: 1.518 HG3 :: 1.415 HD2 :: 3.271 HD3 :: 3.145 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 104.175(S) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 Q 0.13 E 0.05 C Shift Assignments>> C :: 173.631 CA :: 54.481 CB :: 33.575 CG :: 33.563 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.008 HA :: 5.238 HB2 :: 2.212 HB3 :: 1.717 HG2 :: 2.057 HG3 :: 2.166 HE21 :: 7.554 HE22 :: 6.654 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.376 NE2 :: 111.339 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.41 A 0.07 C Shift Assignments>> C :: 174.129 CA :: 53.828 CB :: 47.485 CG :: 25.978 CD1 :: 25.907 CD2 :: 24.088 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.088 HA :: 4.805 HB2 :: 1.425 HB3 :: 0.960 HG :: 1.381 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 1.017 HD22 :: 1.017 HD23 :: 1.017 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.590 Ave N Shift Values>> N :: 121.98(4.07) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 E 0.37 Q 0.04 K 0.01 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 174.727 CA :: 54.676 CB :: 32.569 CG :: 35.983 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.621 HA :: 5.348 HB2 :: 1.985 HB3 :: 1.752 HG2 :: 2.124 HG3 :: 1.839 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.807 Ave N Shift Values>> N :: 120.68(3.68) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.26 A 0.06 C Shift Assignments>> C :: 175.765 CA :: 52.855 CB :: 46.322 CG :: 26.943 CD1 :: 26.519 CD2 :: 23.457 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.859 HA :: 5.472 HB2 :: 1.737 HB3 :: 1.303 HG :: 1.270 HD11 :: 0.512 HD12 :: 0.512 HD13 :: 0.512 HD21 :: 0.015 HD22 :: 0.015 HD23 :: 0.015 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.510 Ave N Shift Values>> N :: 121.98(4.07) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.129 CA :: 59.995 CB :: 71.463 CG2 :: 20.606 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.952 HA :: 4.685 HB :: 3.983 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.550 Ave N Shift Values>> N :: 115.7(5.05) 1.W30 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 174.918 CA :: 56.375 CB :: 29.138 CD1 :: 126.513 CE3 :: 121.081 CZ2 :: 113.899 CZ3 :: 120.268 CH2 :: 123.824 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.557 HA :: 5.224 HB2 :: 3.206 HB3 :: 3.137 HD1 :: 6.593 HE1 :: 5.986(A) HE3 :: 6.834 HZ2 :: 6.694 HZ3 :: 6.490 HH2 :: 6.630 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.841 NE1 :: 124.234 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.3 L 0.01 C Shift Assignments>> C :: 178.526 CA :: 53.512 CB :: 19.494 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.216 HA :: 4.120 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.466 Ave N Shift Values>> N :: 123.23(3.7) 1.G32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.652 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.885 CA :: 58.287 CB :: 64.176 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.561 HB2 :: 3.963 HB3 :: 3.963 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.16 K 0.08 L 0.03 C Shift Assignments>> C :: 174.049 CA :: 53.979 CB :: 30.301 CG :: 26.850 CD :: 43.424 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.192 HB2 :: 1.810 HB3 :: 1.871 HG2 :: 1.712 HG3 :: 1.712 HD2 :: 3.247 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.591 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.767 CA :: 63.026 CB :: 32.166 CG :: 27.390 CD :: 50.586 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.456 HB2 :: 2.290 HB3 :: 1.941 HG2 :: 2.024 HG3 :: 2.099 HD2 :: 3.672 HD3 :: 3.813 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.16 G 0.12 L 0.01 C Shift Assignments>> C :: 176.009 CA :: 56.720 CB :: 30.497 CG :: 27.275 CD :: 43.413 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.546 HA :: 4.222 HB2 :: 1.845 HB3 :: 1.811 HG2 :: 1.648 HG3 :: 1.695 HD2 :: 3.234 HD3 :: 3.234 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.137 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.23 Y 0.04 F 0.04 L 0.03 C Shift Assignments>> CA :: 51.139 CB :: 39.117 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.364 HA :: 5.034 HB2 :: 2.826 HB3 :: 2.668 HD21 :: 7.643 HD22 :: 6.964 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.283 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.551 CA :: 63.895 CB :: 32.001 CG :: 27.427 CD :: 50.709 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.418 HB2 :: 2.281 HB3 :: 2.022 HD2 :: 3.749 HD3 :: 3.797 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.654 CA :: 45.366 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.546 HA2 :: 4.020 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.408 Ave N Shift Values>> N :: 109.91(4.29) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 173.461 CA :: 45.275 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.093 HA2 :: 3.919 HA3 :: 4.012 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.091 Ave N Shift Values>> N :: 109.91(4.29) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.24 Y 0.1 F 0.09 L 0.05 E 0.01 HN Overlap>> 1.D52 1.Q70 1.D52 1.Q70 C Shift Assignments>> C :: 174.138 CA :: 53.474 CB :: 38.984 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.371 HA :: 4.679 HB2 :: 2.800 HB3 :: 2.702 HD21 :: 7.561 HD22 :: 6.916 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.162 ND2 :: 112.873 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 G 0.22 R 0.1 C Shift Assignments>> C :: 175.747 CA :: 55.085 CB :: 43.931 CG :: 27.150 CD1 :: 25.268 CD2 :: 24.636 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.043 HA :: 4.668 HB2 :: 1.522 HB3 :: 1.367 HG :: 1.444 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.751 HD22 :: 0.751 HD23 :: 0.751 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.287 Ave N Shift Values>> N :: 121.98(4.07) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 171.345 CA :: 57.203 CB :: 65.344 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.110 HA :: 4.557 HB2 :: 3.943 HB3 :: 3.879 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.840 Ave N Shift Values>> N :: 116.3(3.95) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 G 0.04 C Shift Assignments>> C :: 173.779 CA :: 56.671 CB :: 41.977 CD1 :: 134.423 CD2 :: 134.423 CE1 :: 118.081 CE2 :: 118.081 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.946 HA :: 5.482 HB2 :: 2.970 HB3 :: 2.896 HD1 :: 6.967 HD2 :: 6.967 HE1 :: 6.723 HE2 :: 6.723 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.287 Ave N Shift Values>> N :: 120.79(4.69) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 E 0.37 C Shift Assignments>> C :: 174.276 CA :: 54.611 CB :: 33.788 CG :: 36.783 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.229 HA :: 5.218 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 2.385 HG3 :: 2.149 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.630 Ave N Shift Values>> N :: 120.68(3.68) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.19 R 0.1 C Shift Assignments>> C :: 175.500 CA :: 53.687 CB :: 45.027 CG :: 27.963 CD1 :: 26.746 CD2 :: 26.450 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.473 HA :: 5.253 HB2 :: 1.529 HB3 :: 1.498 HG :: 1.526 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.841 Ave N Shift Values>> N :: 121.98(4.07) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 H 0.42 Y 0.01 C Shift Assignments>> C :: 172.997 CA :: 53.628 CB :: 34.646 CD2 :: 115.294 CE1 :: 138.238 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.010 HA :: 5.156 HB2 :: 2.713 HB3 :: 2.588 HD2 :: 6.483 HE1 :: 7.538 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.365 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.674 CA :: 60.507 CB :: 33.172 CG1 :: 22.419 CG2 :: 20.899 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.542 HA :: 4.669 HB :: 0.346(S) HG11 :: 0.456 HG12 :: 0.456 HG13 :: 0.456 HG21 :: 0.479 HG22 :: 0.479 HG23 :: 0.479 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.687 Ave N Shift Values>> N :: 121.02(4.96) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.34 R 0.03 C Shift Assignments>> C :: 175.933 CA :: 54.888 CB :: 45.568 CG :: 27.634 CD1 :: 26.108 CD2 :: 24.940 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.178 HA :: 5.123 HB2 :: 1.614 HB3 :: 1.427 HG :: 1.363 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.530 HD22 :: 0.530 HD23 :: 0.530 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.716 Ave N Shift Values>> N :: 121.98(4.07) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.35 L 0.1 F 0.06 Y 0.05 K 0.02 C Shift Assignments>> C :: 174.805 CA :: 52.432 CB :: 40.150 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.744 HA :: 4.638 HB2 :: 2.950 HB3 :: 2.798 HD21 :: 7.159 HD22 :: 6.573 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.669 ND2 :: 111.991 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 R 0.13 E 0.12 I 0.04 M 0.02 C Shift Assignments>> C :: 175.485 CA :: 58.563 CB :: 27.742 CG :: 33.814 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.624 HA :: 3.886 HB2 :: 2.170 HB3 :: 2.081 HG2 :: 2.393 HG3 :: 2.328 HE21 :: 7.683 HE22 :: 6.815 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.090 NE2 :: 113.090 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.22 K 0.15 D 0.14 F 0.06 Y 0.05 G 0.02 N 0.01 HN Overlap>> 1.N41 1.N41 1.Q70 1.Q70 C Shift Assignments>> C :: 175.587 CA :: 55.171 CB :: 42.695 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.372 HA :: 4.792 HB2 :: 2.797 HB3 :: 2.666 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.171 Ave N Shift Values>> N :: 120.73(4.2) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 E 0.45 Q 0.02 I 0.01 C Shift Assignments>> C :: 173.843 CA :: 55.718 CB :: 32.883 CG :: 36.354 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.226 HA :: 4.725 HB2 :: 2.232 HB3 :: 2.102 HG2 :: 2.317 HG3 :: 2.317 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.861 Ave N Shift Values>> N :: 120.68(3.68) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.28 Q 0.05 C Shift Assignments>> C :: 175.302 CA :: 54.928 CB :: 33.397 CG :: 35.627 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.354 HA :: 5.459 HB2 :: 2.060 HB3 :: 2.033 HG2 :: 2.225 HG3 :: 2.180 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.629 Ave N Shift Values>> N :: 120.68(3.68) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.93 H 0.06 C Shift Assignments>> C :: 173.240 CA :: 57.529 CB :: 31.591 CD1 :: 127.169 CE3 :: 121.317 CZ2 :: 114.149 CZ3 :: 121.317 CH2 :: 124.701 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.314 HA :: 5.109 HB2 :: 3.564 HB3 :: 3.357 HD1 :: 7.006 HE1 :: 10.266 HE3 :: 7.333 HZ2 :: 7.245 HZ3 :: 6.990 HH2 :: 7.017 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.807 NE1 :: 129.157 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 W 0.39 C Shift Assignments>> C :: 175.066 CA :: 53.681 CB :: 32.384 CD2 :: 119.604 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.767 HA :: 5.940 HB2 :: 3.076 HD2 :: 6.846 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.633 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 E 0.14 Q 0.13 C Shift Assignments>> C :: 173.268 CA :: 55.404 CB :: 33.567 CG :: 34.394 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.173 HA :: 4.945 HB2 :: 2.213 HB3 :: 2.213 HG2 :: 2.375 HG3 :: 2.375 HE21 :: 7.414 HE22 :: 6.931 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.509 NE2 :: 109.716 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.36 C Shift Assignments>> C :: 176.812 CA :: 54.499 CB :: 33.907 CG :: 32.578 CE :: 17.216 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.031 HA :: 5.727 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.719 HG3 :: 2.625 HE1 :: 2.049 HE2 :: 2.049 HE3 :: 2.049 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.133 Ave N Shift Values>> N :: 120.1(3.88) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 I 0.29 C Shift Assignments>> C :: 175.320 CA :: 60.436 CB :: 36.579 CG1 :: 23.552 CG2 :: 20.822 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.383 HA :: 4.978 HB :: 2.677 HG11 :: 1.313 HG12 :: 1.313 HG13 :: 1.313 HG21 :: 1.391 HG22 :: 1.391 HG23 :: 1.391 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.783 Ave N Shift Values>> N :: 121.02(4.96) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.19 G 0.04 A 0.02 C Shift Assignments>> C :: 176.120 CA :: 55.436 CB :: 42.643 CG :: 27.634 CD1 :: 25.055 CD2 :: 23.304 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.947 HA :: 4.684 HB2 :: 1.922 HB3 :: 1.766 HG :: 1.774 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 0.943 HD22 :: 0.943 HD23 :: 0.943 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.091 Ave N Shift Values>> N :: 121.98(4.07) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 Q 0.26 E 0.19 K 0.13 C Shift Assignments>> C :: 173.976 CA :: 52.814 CB :: 30.713 CG :: 34.752 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.765 HA :: 4.906 HB2 :: 2.058 HB3 :: 1.897 HG2 :: 2.304 HG3 :: 2.187 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.499 Ave N Shift Values>> N :: 120.68(3.68) 1.P62 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.54 P 0.43 L 0.01 C Shift Assignments>> C :: 173.409 CA :: 61.729 CB :: 26.315(A) CG :: 27.333 CD :: 49.197 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.363 HB2 :: 1.401 HB3 :: 0.737(S) HG2 :: 1.834 HG3 :: 1.552 HD2 :: 3.565 HD3 :: 3.525 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) SRO Rule Breaks>> (CB > CG : 0.9931) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.39 G 0.07 C Shift Assignments>> C :: 173.916 CA :: 55.312 CB :: 31.947 CG :: 25.832 CD :: 43.043 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.876 HA :: 4.168 HB2 :: 1.576 HB3 :: 1.480 HG2 :: 1.072 HG3 :: 1.164 HD2 :: 2.990 HD3 :: 2.890 HE :: 7.420 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.412 NE :: 83.892 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 I 0.1 C Shift Assignments>> C :: 170.242 CA :: 60.705 CB :: 35.520 CG1 :: 19.723 CG2 :: 22.320 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.651 HA :: 4.470 HB :: 2.298 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.267 Ave N Shift Values>> N :: 121.02(4.96) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 G 0.13 R 0.1 A 0.03 C Shift Assignments>> C :: 176.050 CA :: 53.450 CB :: 43.371 CG :: 27.304 CD1 :: 25.407 CD2 :: 23.506 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.294 HA :: 4.962 HB2 :: 1.804 HB3 :: 1.151 HG :: 1.147 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.719 HD22 :: 0.719 HD23 :: 0.719 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.612 Ave N Shift Values>> N :: 121.98(4.07) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.13 R 0.08 A 0.01 C Shift Assignments>> C :: 175.879 CA :: 53.916 CB :: 43.354 CG :: 26.660 CD1 :: 25.834 CD2 :: 23.970 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.263 HA :: 4.691 HB2 :: 1.877 HB3 :: 1.363 HG :: 1.649 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.731 Ave N Shift Values>> N :: 121.98(4.07) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.809 CA :: 59.712 CB :: 71.690 CG2 :: 21.701 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.007 HA :: 4.920 HB :: 4.307 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.825 Ave N Shift Values>> N :: 115.7(5.05) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.42 L 0.03 G 0.02 M 0.01 C Shift Assignments>> C :: 176.344 CA :: 57.150 CB :: 29.206 CG :: 25.228 CD :: 29.185 CE :: 42.273 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.737 HA :: 3.828 HB2 :: 1.881 HB3 :: 1.881 HG2 :: 1.395 HG3 :: 1.342 HD2 :: 1.598 HD3 :: 1.661 HE2 :: 2.952 HE3 :: 2.952 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.089 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.16 R 0.03 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 175.797 CA :: 52.979 CB :: 41.541 CG :: 26.292 CD1 :: 26.547 CD2 :: 20.135 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.023 HA :: 4.426 HB2 :: 1.544 HB3 :: 1.010 HG :: 1.057 HD11 :: 0.174 HD12 :: 0.174 HD13 :: 0.174 HD21 :: 0.274 HD22 :: 0.274 HD23 :: 0.274 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.813 Ave N Shift Values>> N :: 121.98(4.07) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 M 0.31 K 0.24 R 0.04 E 0.04 P 0.01 HN Overlap>> 1.N41 1.D52 1.N41 1.D52 C Shift Assignments>> C :: 174.218 CA :: 52.273 CB :: 30.159 CG :: 33.188 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.319 HA :: 4.894 HB2 :: 2.098 HB3 :: 1.991 HG2 :: 2.518 HG3 :: 2.518 HE21 :: 7.745 HE22 :: 6.868 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.153 NE2 :: 113.508 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.540 CA :: 62.814 CB :: 32.620 CG :: 27.469 CD :: 51.119 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.446 HB2 :: 2.288 HB3 :: 1.837 HG2 :: 2.055 HG3 :: 1.742 HD2 :: 3.621 HD3 :: 3.803 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.16 F 0.08 N 0.07 Y 0.07 R 0.06 C Shift Assignments>> C :: 174.107 CA :: 54.376 CB :: 41.528 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.931 HA :: 4.234 HB2 :: 3.189 HB3 :: 1.980 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.157 Ave N Shift Values>> N :: 120.73(4.2) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.122 CA :: 63.022 CB :: 71.766 CG2 :: 19.937 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.237 HA :: 4.429 HB :: 4.003 HG21 :: 0.714 HG22 :: 0.714 HG23 :: 0.714 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.464 Ave N Shift Values>> N :: 115.7(5.05) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.099 CA :: 63.105 CB :: 69.222 CG2 :: 22.472 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.443 HA :: 4.654 HB :: 3.917 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.182 Ave N Shift Values>> N :: 115.7(5.05) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.935 CA :: 58.263 CB :: 41.004 CD1 :: 133.259 CD2 :: 133.259 CE1 :: 118.711 CE2 :: 118.711 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.370 HA :: 4.636 HB2 :: 2.582 HB3 :: 2.582 HD1 :: 6.961 HD2 :: 6.961 HE1 :: 6.916 HE2 :: 6.916 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.125 Ave N Shift Values>> N :: 120.79(4.69) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 175.639 CA :: 59.606 CB :: 37.904 CG1 :: 28.122 CG2 :: 17.705 CD1 :: 12.668 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.061 HA :: 4.856 HB :: 1.769 HG12 :: 1.454 HG13 :: 1.078 HG21 :: 0.660 HG22 :: 0.660 HG23 :: 0.660 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.591 Ave N Shift Values>> N :: 121.6(4.72) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.410 CA :: 60.507 CB :: 35.499 CG1 :: 22.670 CG2 :: 21.480 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.203 HA :: 5.109 HB :: 1.832 HG11 :: 0.708 HG12 :: 0.708 HG13 :: 0.708 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.656 Ave N Shift Values>> N :: 121.02(4.96) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.35 G 0.16 C Shift Assignments>> C :: 173.656 CA :: 54.447 CB :: 33.864 CG :: 26.727 CD :: 43.132 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.545 HA :: 4.640 HB2 :: 1.960 HB3 :: 1.569 HG2 :: 1.449 HG3 :: 1.165 HD2 :: 2.581 HD3 :: 2.437 HE :: 7.636 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.966 NE :: 85.239 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 I 0.11 A 0.05 C Shift Assignments>> C :: 173.240 CA :: 59.093 CB :: 36.196 CG1 :: 19.671 CG2 :: 21.704 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.447 HA :: 5.564 HB :: 1.133 HG11 :: 0.165 HG12 :: 0.165 HG13 :: 0.165 HG21 :: 0.050 HG22 :: 0.050 HG23 :: 0.050 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.509 Ave N Shift Values>> N :: 121.02(4.96) 1.R80 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.43 G 0.43 R 0.11 A 0.01 C Shift Assignments>> C :: 174.360 CA :: 53.577 CB :: 34.565 CG :: 24.758 CD :: 43.494 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.926 HA :: 4.993 HB2 :: 1.372 HB3 :: 0.645(S) HG2 :: 1.071 HG3 :: 0.982 HD2 :: 2.735 HD3 :: 0.902(A) HE :: 6.281 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.970 NE :: 83.005 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HG2 : 0.9974) (HD3 > HG3 : 0.9982) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.503 CA :: 62.099 CB :: 70.103 CG2 :: 23.206 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.103 HA :: 4.510 HB :: 3.994 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.465 Ave N Shift Values>> N :: 115.7(5.05) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.11 A 0.03 G 0.01 C Shift Assignments>> C :: 175.508 CA :: 54.870 CB :: 42.046 CG :: 27.222 CD1 :: 25.299 CD2 :: 23.196 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.619 HA :: 4.483 HB2 :: 1.602 HB3 :: 1.285 HG :: 1.391 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.432 Ave N Shift Values>> N :: 121.98(4.07) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.896 CA :: 59.490 CB :: 69.898 CG2 :: 21.010 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.240 HA :: 5.099 HB :: 4.633 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.964 Ave N Shift Values>> N :: 115.7(5.05) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.047 CA :: 64.997 CB :: 31.988 CG :: 28.211 CD :: 51.107 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.395 HB2 :: 2.488 HB3 :: 1.857 HG2 :: 2.154 HG3 :: 2.008 HD2 :: 4.012 HD3 :: 3.802 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.08 A 0.06 G 0.01 C Shift Assignments>> C :: 176.799 CA :: 54.623 CB :: 41.886 CG :: 27.247 CD1 :: 25.071 CD2 :: 22.837 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.529 HA :: 4.390 HB2 :: 1.666 HB3 :: 1.490 HG :: 1.598 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.818 Ave N Shift Values>> N :: 121.98(4.07) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.24 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.282 CA :: 43.948 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.678 HA2 :: 4.659 HA3 :: 3.863 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.572 Ave N Shift Values>> N :: 109.91(4.29) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.235 CA :: 62.622 CB :: 32.023 CG :: 26.773 CD :: 49.883 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.925 HB2 :: 1.990 HB3 :: 1.870 HG2 :: 2.027 HG3 :: 1.918 HD2 :: 3.611 HD3 :: 3.611 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.24 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 170.975 CA :: 43.935 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.855 HA2 :: 4.350 HA3 :: 3.887 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.661 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 178.483 CA :: 62.215 CB :: 32.107 CG :: 27.304 CD :: 49.164 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.421 HB2 :: 2.294 HB3 :: 1.855 HG2 :: 1.990 HD2 :: 3.568 HD3 :: 3.568 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.990 CA :: 60.224 CB :: 40.165 CD1 :: 131.790 CD2 :: 131.790 CE1 :: 131.516 CE2 :: 131.516 CZ :: 128.956 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.745 HA :: 4.608 HB2 :: 3.375 HB3 :: 2.815 HD1 :: 7.131 HD2 :: 7.131 HE1 :: 7.079 HE2 :: 7.079 HZ :: 6.694 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.162 Ave N Shift Values>> N :: 120.69(4.18) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.709 CA :: 57.593 CB :: 63.669 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.233 HB2 :: 4.058 HB3 :: 4.582 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.056 Ave N Shift Values>> N :: 116.3(3.95) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.735 CA :: 63.026 CB :: 32.319 CG :: 28.128 CD :: 50.625 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.563 HB2 :: 2.404 HB3 :: 1.614 HG2 :: 2.094 HG3 :: 2.060 HD2 :: 3.857 HD3 :: 4.039 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.19 Y 0.17 L 0.16 N 0.09 K 0.09 I 0.02 R 0.01 C Shift Assignments>> C :: 176.605 CA :: 55.744 CB :: 40.344 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.759 HA :: 4.347 HB2 :: 2.470 HB3 :: 2.284 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.971 Ave N Shift Values>> N :: 120.73(4.2) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.9 H 0.09 C Shift Assignments>> C :: 172.836 CA :: 55.171 CB :: 32.306 CD2 :: 128.366 CE1 :: 139.569 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.733 HA :: 4.544 HB2 :: 2.934 HB3 :: 2.742 HD2 :: 7.110 HE1 :: 7.756 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.298 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.38 K 0.02 I 0.02 Q 0.02 C Shift Assignments>> C :: 175.157 CA :: 55.064 CB :: 31.770 CG :: 36.685 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.194 HA :: 4.946 HB2 :: 1.697 HB3 :: 1.697 HG2 :: 2.045 HG3 :: 1.895 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.966 Ave N Shift Values>> N :: 120.68(3.68) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 F 0.22 C Shift Assignments>> C :: 173.023 CA :: 56.720 CB :: 44.962 CD1 :: 132.486 CD2 :: 132.486 CE1 :: 131.381 CE2 :: 131.381 CZ :: 128.868 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.096 HA :: 5.045 HB2 :: 3.122 HB3 :: 2.599 HD1 :: 7.215 HD2 :: 7.215 HE1 :: 7.115 HE2 :: 7.115 HZ :: 6.963 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.537 Ave N Shift Values>> N :: 120.69(4.18) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 R 0.37 K 0.14 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 177.136 CA :: 53.951 CB :: 33.762 CG :: 27.469 CD :: 43.950 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.605 HA :: 5.708 HB2 :: 1.737 HB3 :: 1.580 HG2 :: 1.930 HG3 :: 1.362 HD2 :: 3.017 HD3 :: 3.017 HE :: 6.849 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.913 NE :: 85.477 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.918 CA :: 61.479 CB :: 69.819 CG2 :: 25.358 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.753 HA :: 4.226 HB :: 5.042 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.976 Ave N Shift Values>> N :: 115.7(5.05) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.435 CA :: 58.218 CB :: 62.417 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.095 HA :: 4.561 HB2 :: 3.994 HB3 :: 3.256 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.537 Ave N Shift Values>> N :: 116.3(3.95) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.057 CB :: 30.271 CG :: 27.785 CD :: 50.368 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.653 HB2 :: 2.464 HB3 :: 1.898 HG2 :: 2.023 HD2 :: 3.930 HD3 :: 3.577 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.707 CA :: 63.302 CB :: 31.935 CG :: 27.469 CD :: 50.214 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.359 HB2 :: 2.232 HB3 :: 2.018 HG2 :: 2.114 HD2 :: 3.713 HD3 :: 3.616 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S102 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 :: 58.232 CB :: 64.069 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.270 HA :: 4.487 HB2 :: 3.895 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.216 Ave N Shift Values>> N :: 116.3(3.95) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.749 CA :: 44.689 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.259 HA2 :: 4.147 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.714 Ave N Shift Values>> N :: 109.91(4.29) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.283 CB :: 32.297 CG :: 27.169 CD :: 49.805 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.495 HB2 :: 2.295 HG2 :: 2.022 HD2 :: 3.650 HD3 :: 3.650 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 3 C Shift Results: #Consistent: 444 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 687 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 N Shift Results: #Consistent: 94 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R24 N = 104.175(S), Expected = 120.61, Std = 3.9000, ChiSquare = 2.5077e-05 1.W30 HE1 = 5.986(A), Expected = 10.13, Std = 0.5300, ChiSquare = 5.3300e-15 1.W30 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W30 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.V48 HB = 0.346(S), Expected = 1.99, Std = 0.3300, ChiSquare = 6.2990e-07 1.P62 CB = 26.315(A), Expected = 31.81, Std = 1.5400, ChiSquare = 3.5947e-04 1.P62 HB3 = 0.737(S), Expected = 2.05, Std = 0.3900, ChiSquare = 7.6083e-04 1.P62 SRO Rule Break>> CB > CG : 0.993121238177128 1.R80 HB3 = 0.645(S), Expected = 1.78, Std = 0.2800, ChiSquare = 5.0442e-05 1.R80 HD3 = 0.902(A), Expected = 3.13, Std = 0.2200, ChiSquare = 4.1815e-24 1.R80 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R80 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R80 SRO Rule Break>> HD3 > HG3 : 0.998244844229925