Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.17 R 0.16 Q 0.15 W 0.14 E 0.14 K 0.1 M 0.08 I 0.01 C Shift Assignments>> C :: 174.891 CA :: 56.030 CB :: 30.113 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>> HA :: 4.642 HB2 :: 3.086 HB3 :: 3.163 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) 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.23 C Shift Assignments>> C :: 175.709 CA :: 55.405 CB :: 32.776 CG :: 31.768 CE :: 16.909 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.179 HA :: 4.417 HB2 :: 1.927 HB3 :: 2.012 HG2 :: 2.403 HG3 :: 2.454 HE1 :: 2.047 HE2 :: 2.047 HE3 :: 2.047 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 :: 121.211 Ave N Shift Values>> N :: 120.1(3.88) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.809 CA :: 60.802 CB :: 38.531 CG1 :: 27.077 CG2 :: 17.311 CD1 :: 12.689 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.088 HA :: 4.123 HB :: 1.820 HG12 :: 1.445 HG13 :: 1.156 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.511 Ave N Shift Values>> N :: 121.6(4.72) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 176.108 CA :: 56.053 CB :: 32.915 CG :: 24.668 CD :: 28.897 CE :: 41.939 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 :: 8.381 HA :: 4.328 HB2 :: 1.734 HB3 :: 1.804 HG2 :: 1.367 HG3 :: 1.442 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.969 HE3 :: 2.969 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 :: 126.072 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.09 L 0.01 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 176.428 CA :: 55.742 CB :: 30.781 CG :: 27.059 CD :: 43.211 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 :: 8.484 HA :: 4.444 HB2 :: 1.761 HB3 :: 1.853 HG2 :: 1.609 HG3 :: 1.657 HD2 :: 3.176 HD3 :: 3.176 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 :: 123.714 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.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.172 CA :: 61.501 CB :: 69.868 CG2 :: 21.534 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 :: 8.279 HA :: 4.367 HB :: 4.219 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 115.338 Ave N Shift Values>> N :: 115.7(5.05) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.17 Y 0.09 F 0.07 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.F101 1.F101 C Shift Assignments>> C :: 174.482 CA :: 53.072 CB :: 38.381 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 :: 8.612 HA :: 4.678 HB2 :: 2.780 HB3 :: 2.861 HD21 :: 7.603 HD22 :: 6.899 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 :: 120.727 ND2 :: 112.623 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 E 0.33 Q 0.1 K 0.03 C Shift Assignments>> C :: 173.823 CA :: 53.965 CB :: 31.763 CG :: 35.583 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 :: 8.113 HA :: 4.601 HB2 :: 1.831 HB3 :: 2.007 HG2 :: 2.209 HG3 :: 2.250 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 :: 123.790 Ave N Shift Values>> N :: 120.68(3.68) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.709 CA :: 62.765 CB :: 32.481 CG :: 27.724 CD :: 50.990 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 :: 4.515 HB2 :: 2.044 HB3 :: 2.516 HG2 :: 2.123 HG3 :: 2.123 HD2 :: 3.588 HD3 :: 4.088 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.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 G 0.01 C Shift Assignments>> C :: 178.307 CA :: 58.463 CB :: 41.798 CG :: 26.707 CD1 :: 24.639 CD2 :: 24.346 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 :: 8.720 HA :: 4.006 HB2 :: 1.598 HB3 :: 1.779 HG :: 1.698 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 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 :: 123.760 Ave N Shift Values>> N :: 121.98(4.07) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.29 D 0.11 I 0.08 L 0.07 N 0.05 E 0.03 K 0.01 C Shift Assignments>> C :: 179.531 CA :: 57.087 CB :: 39.321 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 :: 8.829 HA :: 4.361 HB2 :: 2.622 HB3 :: 2.744 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 :: 115.650 Ave N Shift Values>> N :: 120.73(4.2) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 M 0.02 G 0.01 C Shift Assignments>> C :: 178.421 CA :: 58.283 CB :: 31.980 CG :: 25.015 CD :: 28.688 CE :: 42.017 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 :: 7.352 HA :: 4.132 HB2 :: 1.917 HB3 :: 2.006 HG2 :: 1.485 HG3 :: 1.605 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 3.036 HE3 :: 3.036 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 :: 121.462 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.09 M 0.07 C Shift Assignments>> C :: 178.179 CA :: 59.854 CB :: 32.787 CG :: 24.519 CD :: 29.832 CE :: 40.912 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 :: 8.407 HA :: 3.990 HB2 :: 1.680 HB3 :: 1.929 HG2 :: 1.364 HG3 :: 1.481 HD2 :: 1.600 HD3 :: 1.806 HE2 :: 2.884 HE3 :: 2.942 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 :: 123.296 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.24 K 0.1 C Shift Assignments>> C :: 177.460 CA :: 60.505 CB :: 30.267 CG :: 28.573 CD :: 43.578 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 :: 8.594 HA :: 3.734 HB2 :: 1.743 HB3 :: 1.868 HG2 :: 1.482 HG3 :: 1.825 HD2 :: 3.119 HD3 :: 3.192 HE :: 6.969 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 :: 116.950 NE :: 82.608 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.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.03 C Shift Assignments>> C :: 180.514 CA :: 55.069 CB :: 17.934 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.505 HA :: 4.044 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.391 Ave N Shift Values>> N :: 123.23(3.7) 1.R25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.71 K 0.18 G 0.07 L 0.03 C Shift Assignments>> C :: 178.058 CA :: 59.393 CB :: 29.612 CG :: 27.113 CD :: 42.907 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 :: 8.291 HA :: 4.207 HB2 :: 1.819 HB3 :: 2.150 HG2 :: 1.580 HG3 :: 1.580 HD2 :: 3.044 HD3 :: 3.384 HE :: 9.174(S) 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 :: 120.413 NE :: 81.761 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.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 R 0.38 K 0.07 G 0.01 C Shift Assignments>> C :: 180.642 CA :: 57.775 CB :: 41.700 CG :: 27.295 CD1 :: 27.742 CD2 :: 23.207 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 :: 8.305 HA :: 4.145 HB2 :: 2.019 HB3 :: 1.522 HG :: 1.986 HD11 :: 1.062 HD12 :: 1.062 HD13 :: 1.062 HD21 :: 0.984 HD22 :: 0.984 HD23 :: 0.984 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 :: 119.205 Ave N Shift Values>> N :: 121.98(4.07) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 177.716 CA :: 66.152 CB :: 37.841 CG1 :: 30.404 CG2 :: 16.911 CD1 :: 13.207 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.488 HA :: 3.601 HB :: 1.897 HG12 :: 0.872 HG13 :: 1.809 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 123.643 Ave N Shift Values>> N :: 121.6(4.72) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 178.656 CA :: 61.443 CB :: 37.834 CD1 :: 133.196 CD2 :: 133.196 CE1 :: 118.032 CE2 :: 118.032 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.832 HA :: 4.215 HB2 :: 3.190 HB3 :: 3.327 HD1 :: 7.139 HD2 :: 7.139 HE1 :: 6.820 HE2 :: 6.820 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 :: 121.443 Ave N Shift Values>> N :: 120.79(4.69) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 K 0.23 Q 0.21 I 0.08 M 0.05 R 0.01 C Shift Assignments>> C :: 178.537 CA :: 58.197 CB :: 29.288 CG :: 35.181 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 :: 8.965 HA :: 3.861 HB2 :: 2.107 HB3 :: 2.193 HG2 :: 2.783 HG3 :: 2.551 HE21 :: 7.284 HE22 :: 7.110 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 :: 115.999 NE2 :: 110.676 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.004 CA :: 61.818 CB :: 63.196 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.643 HA :: 4.100 HB2 :: 3.770 HB3 :: 4.239 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 :: 115.599 Ave N Shift Values>> N :: 116.3(3.95) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.16 K 0.1 L 0.01 C Shift Assignments>> C :: 176.556 CA :: 55.010 CB :: 30.659 CG :: 27.059 CD :: 43.584 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 :: 6.987 HA :: 4.626 HB2 :: 1.741 HB3 :: 1.943 HG2 :: 1.672 HG3 :: 1.672 HD2 :: 3.146 HD3 :: 3.146 HE :: 7.269 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 :: 114.000 NE :: 84.998 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.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.41 M 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 176.577 CA :: 54.191 CB :: 31.070 CG :: 23.670 CD :: 28.338 CE :: 41.850 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 :: 7.245 HA :: 4.505 HB2 :: 1.485 HB3 :: 1.900 HG2 :: 1.176 HG3 :: 1.176 HD2 :: 1.485 HD3 :: 1.485 HE2 :: 2.820 HE3 :: 2.908 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.507 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 K 0.16 C Shift Assignments>> C :: 177.289 CA :: 52.389 CB :: 27.343 CG :: 24.992 CD :: 39.962 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 :: 8.831 HA :: 4.476 HB2 :: 1.660 HB3 :: 2.173 HG2 :: 1.959 HG3 :: 1.959 HD2 :: 2.992 HD3 :: 2.992 HE :: 8.578 HH11 :: 6.117 HH12 :: 6.117 HH21 :: 6.117 HH22 :: 6.117 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 :: 119.630 NE :: 83.032 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.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.913 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.652 HA2 :: 3.737 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.776 Ave N Shift Values>> N :: 109.91(4.29) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.9 A 0.09 C Shift Assignments>> C :: 175.624 CA :: 58.004 CB :: 38.883 CG1 :: 26.304 CG2 :: 16.989 CD1 :: 9.824 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 :: 6.841 HA :: 4.346 HB :: 1.560 HG12 :: 0.579 HG13 :: 0.810 HG21 :: 0.267 HG22 :: 0.267 HG23 :: 0.267 HD11 :: -0.223 HD12 :: -0.223 HD13 :: -0.223 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) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 G 0.01 C Shift Assignments>> C :: 177.994 CA :: 58.018 CB :: 41.883 CG :: 26.682 CD1 :: 23.908 CD2 :: 25.007 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 :: 8.518 HA :: 3.940 HB2 :: 1.541 HB3 :: 1.541 HG :: 1.518 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 128.200 Ave N Shift Values>> N :: 121.98(4.07) 1.E37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 E 0.07 C Shift Assignments>> C :: 179.332 CA :: 61.507 CB :: 27.735 CG :: 37.878 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 :: 9.964 HA :: 3.540 HB2 :: 0.866(S) HB3 :: 0.866(S) HG2 :: 1.966 HG3 :: 1.966 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 :: 118.515 Ave N Shift Values>> N :: 120.68(3.68) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.061 CA :: 65.735 CB :: 67.623 CG2 :: 24.244 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 :: 6.425 HA :: 3.867 HB :: 3.705 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 111.283 Ave N Shift Values>> N :: 115.7(5.05) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 F 0.15 R 0.14 Y 0.11 D 0.09 I 0.02 C Shift Assignments>> C :: 179.225 CA :: 57.098 CB :: 41.883 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 :: 7.997 HA :: 4.513 HB2 :: 2.580 HB3 :: 2.783 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 :: 124.325 Ave N Shift Values>> N :: 120.73(4.2) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 G 0.01 C Shift Assignments>> C :: 180.528 CA :: 58.092 CB :: 41.798 CG :: 26.696 CD1 :: 25.015 CD2 :: 22.711 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 :: 8.623 HA :: 4.011 HB2 :: 1.534 HB3 :: 1.810 HG :: 1.798 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 118.757 Ave N Shift Values>> N :: 121.98(4.07) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 R 0.35 G 0.16 C Shift Assignments>> C :: 177.631 CA :: 58.357 CB :: 43.339 CG :: 27.297 CD1 :: 22.989 CD2 :: 26.314 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 :: 7.382 HA :: 4.393 HB2 :: 1.940 HB3 :: 1.940 HG :: 1.608 HD11 :: 1.143 HD12 :: 1.143 HD13 :: 1.143 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 119.923 Ave N Shift Values>> N :: 121.98(4.07) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 A 0.13 R 0.04 C Shift Assignments>> C :: 179.489 CA :: 57.569 CB :: 40.484 CG :: 26.663 CD1 :: 25.608 CD2 :: 20.824 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 :: 8.963 HA :: 4.273 HB2 :: 1.617 HB3 :: 2.245 HG :: 1.836 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 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 :: 115.623 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 0.99 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 178.200 CA :: 62.665 CB :: 62.476 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.535 HA :: 4.039 HB2 :: 3.933 HB3 :: 3.994 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 :: 115.349 Ave N Shift Values>> N :: 116.3(3.95) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.624 CA :: 47.144 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.812 HA2 :: 4.037 HA3 :: 4.135 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.034 Ave N Shift Values>> N :: 109.91(4.29) 1.F45 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.482 CA :: 61.245 CB :: 39.919 CD1 :: 131.340 CD2 :: 131.340 CE1 :: 130.674 CE2 :: 130.674 CZ :: 128.830 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 :: 8.542 HA :: 2.938 HB2 :: 2.750 HB3 :: 2.957 HD1 :: 6.706 HD2 :: 6.706 HE1 :: 6.494 HE2 :: 6.494 HZ :: 6.700 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.487 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 HN Overlap>> 1.W75 1.W75 C Shift Assignments>> C :: 179.916 CA :: 54.708 CB :: 18.097 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.262 HA :: 3.732 HB1 :: 1.604 HB2 :: 1.604 HB3 :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.034 Ave N Shift Values>> N :: 123.23(3.7) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.46 I 0.01 C Shift Assignments>> C :: 178.250 CA :: 54.383 CB :: 18.201 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.481 HA :: 3.971 HB1 :: 1.518 HB2 :: 1.518 HB3 :: 1.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.642 Ave N Shift Values>> N :: 123.23(3.7) 1.K48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.62 R 0.32 M 0.04 G 0.01 C Shift Assignments>> C :: 177.845 CA :: 57.760 CB :: 33.786 CG :: 25.029 CD :: 29.534 CE :: 42.060 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 :: 7.056 HA :: 4.100 HB2 :: 1.253 HB3 :: 1.521 HG2 :: 0.453(S) HG3 :: 1.029 HD2 :: 1.544 HD3 :: 1.657 HE2 :: 2.895 HE3 :: 2.895 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 :: 115.388 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.272 CA :: 60.123 CB :: 40.260 CD1 :: 133.459 CD2 :: 133.459 CE1 :: 117.392 CE2 :: 117.392 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.941 HA :: 4.296 HB2 :: 1.413(S) HB3 :: 2.459 HD1 :: 6.528 HD2 :: 6.528 HE1 :: 6.722 HE2 :: 6.722 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 :: 112.714 Ave N Shift Values>> N :: 120.79(4.69) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 R 0.35 K 0.1 C Shift Assignments>> C :: 180.108 CA :: 59.709 CB :: 40.837 CG :: 29.069 CD1 :: 25.599 CD2 :: 24.250 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 :: 7.945 HA :: 3.975 HB2 :: 1.363 HB3 :: 1.791 HG :: 1.680 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 HD21 :: 0.558 HD22 :: 0.558 HD23 :: 0.558 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 :: 120.890 Ave N Shift Values>> N :: 121.98(4.07) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.03 G 0.01 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 176.051 CA :: 58.805 CB :: 31.507 CG :: 24.716 CD :: 29.070 CE :: 41.891 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 :: 8.463 HA :: 3.858 HB2 :: 1.773 HB3 :: 1.773 HG2 :: 1.273 HG3 :: 1.360 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.960 HE3 :: 2.960 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 :: 115.335 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.22 M 0.04 G 0.01 C Shift Assignments>> C :: 176.777 CA :: 55.085 CB :: 33.116 CG :: 24.780 CD :: 28.995 CE :: 41.901 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 :: 7.232 HA :: 4.410 HB2 :: 1.781 HB3 :: 2.032 HG2 :: 1.387 HG3 :: 1.387 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.964 HE3 :: 2.964 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 :: 115.175 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 A 0.15 C Shift Assignments>> C :: 176.179 CA :: 57.091 CB :: 34.125 CG :: 33.576 CE :: 18.274 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 :: 7.175 HA :: 4.485 HB2 :: 1.982 HB3 :: 2.112 HG2 :: 2.585 HG3 :: 2.767 HE1 :: 1.785 HE2 :: 1.785 HE3 :: 1.785 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 :: 120.127 Ave N Shift Values>> N :: 120.1(3.88) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.16 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 175.154 CA :: 50.941 CB :: 38.535 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 :: 9.045 HA :: 4.765 HB2 :: 2.979 HB3 :: 3.380 HD21 :: 7.385 HD22 :: 6.914 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 :: 120.819 ND2 :: 110.427 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 E 0.31 K 0.03 M 0.01 C Shift Assignments>> C :: 178.122 CA :: 61.252 CB :: 29.669 CG :: 36.759 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 :: 8.891 HA :: 3.824 HB2 :: 2.097 HB3 :: 2.150 HG2 :: 2.407 HG3 :: 2.292 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 :: 116.971 Ave N Shift Values>> N :: 120.68(3.68) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.42 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.937 CA :: 59.816 CB :: 29.082 CG :: 36.840 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 :: 8.366 HA :: 4.137 HB2 :: 2.116 HB3 :: 2.183 HG2 :: 2.390 HG3 :: 2.390 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 :: 119.652 Ave N Shift Values>> N :: 120.68(3.68) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.45 K 0.04 M 0.01 C Shift Assignments>> C :: 179.332 CA :: 59.159 CB :: 29.300 CG :: 37.445 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 :: 8.491 HA :: 4.265 HB2 :: 2.179 HB3 :: 2.316 HG2 :: 2.353 HG3 :: 2.624 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 :: 122.119 Ave N Shift Values>> N :: 120.68(3.68) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.21 K 0.02 G 0.01 C Shift Assignments>> C :: 179.218 CA :: 57.685 CB :: 41.850 CG :: 26.102 CD1 :: 27.077 CD2 :: 24.670 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 :: 8.693 HA :: 4.136 HB2 :: 2.048 HB3 :: 1.223 HG :: 1.853 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 119.424 Ave N Shift Values>> N :: 121.98(4.07) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.21 K 0.17 Q 0.09 M 0.03 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 179.361 CA :: 59.039 CB :: 29.105 CG :: 35.830 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 :: 8.009 HA :: 4.300 HB2 :: 2.187 HB3 :: 2.295 HG2 :: 2.399 HG3 :: 2.508 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 :: 118.813 Ave N Shift Values>> N :: 120.68(3.68) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.44 K 0.03 M 0.02 HN Overlap>> 1.Y28 1.Y28 C Shift Assignments>> C :: 178.451 CA :: 59.649 CB :: 29.764 CG :: 37.380 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 :: 7.867 HA :: 4.256 HB2 :: 2.313 HB3 :: 2.430 HG2 :: 2.516 HG3 :: 2.620 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 :: 121.472 Ave N Shift Values>> N :: 120.68(3.68) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.278 CA :: 62.171 CB :: 38.190 CD1 :: 132.026 CD2 :: 132.026 CE1 :: 117.517 CE2 :: 117.517 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 :: 8.675 HA :: 4.134 HB2 :: 3.122 HB3 :: 3.218 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 6.511 HE2 :: 6.511 HH :: 8.542 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 :: 121.955 Ave N Shift Values>> N :: 120.79(4.69) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.16 Y 0.12 D 0.12 R 0.09 I 0.02 N 0.01 C Shift Assignments>> C :: 178.464 CA :: 56.745 CB :: 41.545 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 :: 8.481 HA :: 4.263 HB2 :: 2.891 HB3 :: 3.142 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 :: 118.314 Ave N Shift Values>> N :: 120.73(4.2) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.763 CA :: 61.824 CB :: 62.830 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.779 HA :: 4.361 HB2 :: 4.252 HB3 :: 4.350 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 :: 111.380 Ave N Shift Values>> N :: 116.3(3.95) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.08 R 0.02 C Shift Assignments>> C :: 177.688 CA :: 58.051 CB :: 40.175 CG :: 26.049 CD1 :: 21.649 CD2 :: 25.859 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 :: 8.616 HA :: 4.056 HB2 :: 1.383 HB3 :: 1.907 HG :: 1.215 HD11 :: 0.021 HD12 :: 0.021 HD13 :: 0.021 HD21 :: 0.461 HD22 :: 0.461 HD23 :: 0.461 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 :: 127.444 Ave N Shift Values>> N :: 121.98(4.07) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.03 R 0.02 C Shift Assignments>> C :: 178.506 CA :: 56.365 CB :: 40.463 CG :: 26.863 CD1 :: 25.661 CD2 :: 22.852 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 :: 7.700 HA :: 3.768 HB2 :: 1.384 HB3 :: 1.896 HG :: 1.396 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.537 HD22 :: 0.537 HD23 :: 0.537 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 :: 114.503 Ave N Shift Values>> N :: 121.98(4.07) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.27 Y 0.12 F 0.11 L 0.07 E 0.01 C Shift Assignments>> C :: 176.008 CA :: 53.886 CB :: 39.259 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.533 HA :: 4.739 HB2 :: 3.002 HB3 :: 3.002 HD21 :: 7.626 HD22 :: 6.997 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 :: 116.208 ND2 :: 113.962 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.27 Q 0.18 I 0.04 M 0.03 R 0.01 C Shift Assignments>> C :: 175.410 CA :: 54.966 CB :: 28.420 CG :: 35.805 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 :: 7.948 HA :: 4.489 HB2 :: 2.015 HB3 :: 2.168 HG2 :: 2.570 HG3 :: 2.850 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 :: 120.300 Ave N Shift Values>> N :: 120.68(3.68) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.08 R 0.05 C Shift Assignments>> C :: 178.720 CA :: 54.706 CB :: 41.508 CG :: 26.885 CD1 :: 25.359 CD2 :: 22.673 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 :: 9.451 HA :: 4.130 HB2 :: 1.669 HB3 :: 1.669 HG :: 1.906 HD11 :: 1.028 HD12 :: 1.028 HD13 :: 1.028 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 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 :: 120.037 Ave N Shift Values>> N :: 121.98(4.07) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.24 K 0.15 I 0.1 L 0.09 D 0.04 R 0.03 HN Overlap>> 1.F101 1.F101 1.E100 1.E100 C Shift Assignments>> C :: 179.446 CA :: 58.637 CB :: 40.854 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 :: 8.445 HA :: 4.177 HB2 :: 2.121 HB3 :: 2.241 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.774 Ave N Shift Values>> N :: 120.73(4.2) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 176.983 CA :: 60.103 CB :: 28.391 CD1 :: 126.288 CE3 :: 120.204 CZ2 :: 114.462 CZ3 :: 121.233 CH2 :: 124.537 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.809 HA :: 4.118 HB2 :: 2.877 HB3 :: 3.129 HD1 :: 7.263 HE1 :: 9.980 HE3 :: 6.893 HZ2 :: 7.354 HZ3 :: 6.505 HH2 :: 6.948 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 :: 117.865 NE1 :: 127.588 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.35 F 0.29 I 0.12 E 0.07 D 0.06 N 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 175.218 CA :: 57.453 CB :: 38.723 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 :: 6.134(S) HA :: 3.862 HB2 :: 0.857(A) HB3 :: 2.137 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.993 Ave N Shift Values>> N :: 120.73(4.2) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.097 CA :: 66.119 CB :: 38.279 CG1 :: 28.401 CG2 :: 17.019 CD1 :: 14.277 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 :: 7.302 HA :: 2.872 HB :: 1.529 HG12 :: 0.349 HG13 :: 1.424 HG21 :: 0.609 HG22 :: 0.609 HG23 :: 0.609 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 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 :: 115.361 Ave N Shift Values>> N :: 121.6(4.72) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 178.827 CA :: 62.150 CB :: 38.172 CD1 :: 132.404 CD2 :: 132.404 CE1 :: 118.196 CE2 :: 118.196 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.327 HA :: 3.741 HB2 :: 2.558 HB3 :: 2.845 HD1 :: 6.628 HD2 :: 6.628 HE1 :: 6.872 HE2 :: 6.872 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.121 Ave N Shift Values>> N :: 120.79(4.69) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.92 H 0.07 C Shift Assignments>> C :: 178.165 CA :: 59.277 CB :: 35.784 CD1 :: 132.294 CD2 :: 132.294 CE1 :: 117.864 CE2 :: 117.864 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 :: 8.922 HA :: 4.276 HB2 :: 2.980 HB3 :: 3.442 HD1 :: 7.155 HD2 :: 7.155 HE1 :: 6.760 HE2 :: 6.760 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 :: 121.029 Ave N Shift Values>> N :: 120.79(4.69) 1.W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.A46 1.A46 C Shift Assignments>> C :: 180.599 CA :: 57.770 CB :: 28.411 CD1 :: 124.067 CE3 :: 118.557 CZ2 :: 114.216 CZ3 :: 120.579 CH2 :: 123.409 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 :: 9.201 HA :: 4.755 HB2 :: 3.255 HB3 :: 3.078 HD1 :: 7.093 HE1 :: 9.277 HE3 :: 6.634 HZ2 :: 7.398 HZ3 :: 6.063 HH2 :: 7.086 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 :: 121.118 NE1 :: 127.755 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 L 0.01 C Shift Assignments>> C :: 177.546 CA :: 55.200 CB :: 19.225 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.761 HA :: 3.956 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.129 Ave N Shift Values>> N :: 123.23(3.7) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.425 CA :: 60.767 CB :: 69.573 CG2 :: 20.960 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 :: 7.411 HA :: 4.192 HB :: 4.327 HG1 :: 3.920 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 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 :: 102.584 Ave N Shift Values>> N :: 115.7(5.05) 1.K78 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.2 L 0.03 G 0.02 HN Overlap>> 1.Y73 1.Y73 C Shift Assignments>> C :: 174.514 CA :: 57.242 CB :: 28.333 CG :: 25.594 CD :: 29.731 CE :: 42.209 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 :: 7.420 HA :: 2.830 HB2 :: 1.767 HB3 :: 1.991 HG2 :: 1.267 HG3 :: 1.267 HD2 :: 1.681 HD3 :: 1.770 HE2 :: 2.875 HE3 :: 2.963 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 :: 116.069 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.05 Y 0.04 M 0.03 F 0.02 E 0.02 P 0.01 C Shift Assignments>> C :: 175.581 CA :: 50.595 CB :: 36.999 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 :: 8.828 HA :: 4.797 HB2 :: 2.507 HB3 :: 2.929 HD21 :: 7.384 HD22 :: 6.737 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 :: 120.318 ND2 :: 110.893 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.311 CA :: 56.745 CB :: 38.211 CD1 :: 131.376 CD2 :: 131.376 CE1 :: 131.347 CE2 :: 131.347 CZ :: 129.154 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.581 HA :: 4.869 HB2 :: 2.765 HB3 :: 3.532 HD1 :: 7.509 HD2 :: 7.509 HE1 :: 7.393 HE2 :: 7.393 HZ :: 7.236 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 :: 120.545 Ave N Shift Values>> N :: 120.69(4.18) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.35 M 0.03 G 0.01 C Shift Assignments>> C :: 177.845 CA :: 58.508 CB :: 32.091 CG :: 24.756 CD :: 28.756 CE :: 41.962 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 :: 7.999 HA :: 4.061 HB2 :: 1.768 HB3 :: 1.845 HG2 :: 1.423 HG3 :: 1.423 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.976 HE3 :: 2.976 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 :: 118.568 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.556 CA :: 63.796 CB :: 68.509 CG2 :: 21.607 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 :: 7.419 HA :: 4.098 HB :: 3.401 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 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 :: 111.828 Ave N Shift Values>> N :: 115.7(5.05) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.371 CA :: 54.673 CB :: 63.763 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.312 HA :: 5.000 HB2 :: 3.746 HB3 :: 4.051 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 :: 115.546 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 176.855 CA :: 62.540 CB :: 32.083 CG :: 27.122 CD :: 50.262 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 :: 4.555 HB2 :: 1.796 HB3 :: 2.291 HG2 :: 2.048 HG3 :: 2.048 HD2 :: 3.512 HD3 :: 3.822 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 0.85 A 0.06 G 0.06 R 0.01 C Shift Assignments>> C :: 175.168 CA :: 52.337 CB :: 42.360 CG :: 25.329 CD1 :: 23.587 CD2 :: 25.367 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 :: 8.171 HA :: 3.813 HB2 :: 0.774 HB3 :: 1.201 HG :: 1.083 HD11 :: 0.059 HD12 :: 0.059 HD13 :: 0.059 HD21 :: 0.376 HD22 :: 0.376 HD23 :: 0.376 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 :: 125.147 Ave N Shift Values>> N :: 121.98(4.07) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.111 CA :: 62.261 CB :: 32.775 CG :: 28.103 CD :: 51.821 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 :: 4.508 HB2 :: 1.773 HB3 :: 2.544 HG2 :: 2.203 HG3 :: 2.203 HD2 :: 2.493 HD3 :: 4.209 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.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 D 0.1 L 0.1 I 0.08 K 0.07 N 0.02 C Shift Assignments>> C :: 178.392 CA :: 57.499 CB :: 40.120 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 :: 8.649 HA :: 4.155 HB2 :: 2.541 HB3 :: 2.541 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 :: 123.224 Ave N Shift Values>> N :: 120.73(4.2) 1.K88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.57 R 0.33 M 0.08 C Shift Assignments>> C :: 176.585 CA :: 58.259 CB :: 31.734 CG :: 23.493 CD :: 29.062 CE :: 41.738 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 :: 8.344 HA :: 3.831 HB2 :: 1.258 HB3 :: 1.576 HG2 :: 0.416(S) HG3 :: 0.562 HD2 :: 1.356 HD3 :: 1.356 HE2 :: 2.627 HE3 :: 2.662 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 :: 115.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 176.329 CA :: 56.147 CB :: 31.502 CD1 :: 126.277 CE3 :: 120.546 CZ2 :: 113.783 CZ3 :: 121.620 CH2 :: 124.675 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 :: 7.145 HA :: 4.814 HB2 :: 2.113 HB3 :: 3.392 HD1 :: 6.442 HE1 :: 10.665 HE3 :: 7.649 HZ2 :: 7.365 HZ3 :: 7.238 HH2 :: 7.489 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 :: 116.821 NE1 :: 127.820 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.46 I 0.02 C Shift Assignments>> C :: 177.965 CA :: 54.711 CB :: 18.379 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.456 HA :: 3.866 HB1 :: 1.318 HB2 :: 1.318 HB3 :: 1.318 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.680 Ave N Shift Values>> N :: 123.23(3.7) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.2 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> C :: 174.727 CA :: 52.389 CB :: 38.707 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 :: 8.318 HA :: 4.815 HB2 :: 2.574 HB3 :: 2.914 HD21 :: 7.546 HD22 :: 6.895 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.054 ND2 :: 113.995 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.033 CA :: 57.599 CB :: 64.454 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.255 HA :: 4.649 HB2 :: 4.212 HB3 :: 4.332 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.359 Ave N Shift Values>> N :: 116.3(3.95) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.3 M 0.03 G 0.01 C Shift Assignments>> C :: 178.763 CA :: 59.129 CB :: 32.083 CG :: 25.058 CD :: 29.114 CE :: 41.931 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 :: 9.608 HA :: 4.130 HB2 :: 1.996 HB3 :: 1.996 HG2 :: 1.521 HG3 :: 1.658 HD2 :: 1.779 HD3 :: 1.779 HE2 :: 3.061 HE3 :: 3.061 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 :: 133.672 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.16 K 0.03 C Shift Assignments>> C :: 178.663 CA :: 57.236 CB :: 41.161 CG :: 27.470 CD1 :: 24.055 CD2 :: 26.321 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 :: 8.000 HA :: 4.351 HB2 :: 1.734 HB3 :: 2.017 HG :: 1.627 HD11 :: 1.136 HD12 :: 1.136 HD13 :: 1.136 HD21 :: 1.149 HD22 :: 1.149 HD23 :: 1.149 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 :: 122.086 Ave N Shift Values>> N :: 121.98(4.07) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.12 K 0.02 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> C :: 178.530 CA :: 57.381 CB :: 40.924 CG :: 27.322 CD1 :: 23.661 CD2 :: 26.332 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 :: 7.997 HA :: 3.925 HB2 :: 1.611 HB3 :: 2.027 HG :: 1.690 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 118.720 Ave N Shift Values>> N :: 121.98(4.07) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.32 M 0.02 G 0.01 C Shift Assignments>> C :: 179.147 CA :: 59.462 CB :: 31.920 CG :: 25.034 CD :: 29.213 CE :: 42.130 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 :: 7.341 HA :: 4.256 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 1.660 HG3 :: 1.542 HD2 :: 1.773 HD3 :: 1.773 HE2 :: 3.054 HE3 :: 3.054 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 :: 117.880 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.28 E 0.26 I 0.07 M 0.04 R 0.04 C Shift Assignments>> C :: 179.040 CA :: 59.082 CB :: 29.047 CG :: 34.466 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 :: 8.007 HA :: 4.194 HB2 :: 2.427 HB3 :: 2.092 HG2 :: 2.238 HG3 :: 2.517 HE21 :: 6.742 HE22 :: 6.685 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 :: 119.660 NE2 :: 109.121 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 G 0.01 C Shift Assignments>> C :: 178.841 CA :: 58.081 CB :: 41.896 CG :: 26.581 CD1 :: 23.406 CD2 :: 25.678 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 :: 8.425 HA :: 3.851 HB2 :: 0.946 HB3 :: 1.772 HG :: 1.214 HD11 :: 0.281 HD12 :: 0.281 HD13 :: 0.281 HD21 :: 0.425 HD22 :: 0.425 HD23 :: 0.425 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 :: 122.983 Ave N Shift Values>> N :: 121.98(4.07) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 R 0.2 E 0.07 M 0.02 I 0.02 C Shift Assignments>> C :: 179.660 CA :: 57.816 CB :: 27.417 CG :: 33.458 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 :: 8.594 HA :: 4.640 HB2 :: 1.868 HB3 :: 2.645 HG2 :: 2.704 HG3 :: 2.958 HE21 :: 7.482 HE22 :: 7.291 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 :: 119.099 NE2 :: 107.015 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.36 K 0.08 M 0.02 Q 0.02 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 178.870 CA :: 59.449 CB :: 29.380 CG :: 36.625 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 :: 8.353 HA :: 4.111 HB2 :: 2.250 HB3 :: 2.250 HG2 :: 2.343 HG3 :: 2.563 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 :: 120.803 Ave N Shift Values>> N :: 120.68(3.68) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.D69 1.N16 1.D69 1.N16 C Shift Assignments>> C :: 177.289 CA :: 61.117 CB :: 39.703 CD1 :: 131.665 CD2 :: 131.665 CE1 :: 131.761 CE2 :: 131.761 CZ :: 129.771 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 :: 8.544 HA :: 4.473 HB2 :: 3.698 HB3 :: 3.482 HD1 :: 7.491 HD2 :: 7.491 HE1 :: 7.603 HE2 :: 7.603 HZ :: 7.270 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 :: 120.752 Ave N Shift Values>> N :: 120.69(4.18) 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 :: 176.414 CA :: 61.123 CB :: 63.193 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.314 HA :: 3.821 HB2 :: 3.854 HB3 :: 4.023 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 :: 112.889 Ave N Shift Values>> N :: 116.3(3.95) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.13 I 0.12 M 0.11 Q 0.07 C Shift Assignments>> C :: 177.375 CA :: 57.801 CB :: 30.026 CG :: 36.165 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 :: 7.809 HA :: 4.114 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.315 HG3 :: 2.442 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 :: 118.066 Ave N Shift Values>> N :: 120.68(3.68) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 Y 0.12 F 0.09 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 175.752 CA :: 53.739 CB :: 38.622 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.917 HA :: 4.647 HB2 :: 2.781 HB3 :: 2.877 HD21 :: 7.652 HD22 :: 7.021 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 :: 117.241 ND2 :: 112.799 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.35 M 0.05 C Shift Assignments>> C :: 177.311 CA :: 57.374 CB :: 32.037 CG :: 24.151 CD :: 28.778 CE :: 41.895 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 :: 8.093 HA :: 4.068 HB2 :: 1.680 HB3 :: 1.680 HG2 :: 1.250 HG3 :: 1.314 HD2 :: 1.589 HD3 :: 1.589 HE2 :: 2.964 HE3 :: 2.964 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 :: 121.903 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.17 M 0.1 Q 0.09 I 0.08 C Shift Assignments>> C :: 176.585 CA :: 56.691 CB :: 29.700 CG :: 36.155 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 :: 8.200 HA :: 4.269 HB2 :: 1.965 HB3 :: 2.132 HG2 :: 2.280 HG3 :: 2.312 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 :: 119.595 Ave N Shift Values>> N :: 120.68(3.68) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.25 M 0.05 G 0.01 C Shift Assignments>> C :: 176.435 CA :: 56.452 CB :: 33.110 CG :: 24.667 CD :: 29.047 CE :: 41.920 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 :: 7.838 HA :: 4.267 HB2 :: 1.811 HB3 :: 1.878 HG2 :: 1.456 HG3 :: 1.456 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.538 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.14 M 0.14 Q 0.09 I 0.07 C Shift Assignments>> C :: 175.403 CA :: 56.565 CB :: 30.057 CG :: 36.143 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 :: 8.313 HA :: 4.317 HB2 :: 1.957 HB3 :: 2.080 HG2 :: 2.251 HG3 :: 2.314 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 :: 122.869 Ave N Shift Values>> N :: 120.68(3.68) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 181.019 CA :: 62.738 CB :: 39.532 CG1 :: 27.040 CG2 :: 17.935 CD1 :: 13.399 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 :: 7.705 HA :: 4.093 HB :: 1.837 HG12 :: 1.119 HG13 :: 1.397 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 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 :: 125.937 Ave N Shift Values>> N :: 121.6(4.72) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 2 C Shift Results: #Consistent: 488 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 776 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R25 HE = 9.174(S), Expected = 7.32, Std = 0.5200, ChiSquare = 3.6332e-04 1.E37 HB2 = 0.866(S), Expected = 2.04, Std = 0.2200, ChiSquare = 9.4829e-08 1.E37 HB3 = 0.866(S), Expected = 2.04, Std = 0.2300, ChiSquare = 3.3194e-07 1.F45 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.K48 HG2 = 0.453(S), Expected = 1.38, Std = 0.2700, ChiSquare = 5.9621e-04 1.Y49 HB2 = 1.413(S), Expected = 2.91, Std = 0.3700, ChiSquare = 5.2112e-05 1.D71 H = 6.134(S), Expected = 8.33, Std = 0.5700, ChiSquare = 1.1686e-04 1.D71 HB2 = 0.857(A), Expected = 2.74, Std = 0.2900, ChiSquare = 8.4086e-11 1.K78 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K78 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.K88 HG2 = 0.416(S), Expected = 1.38, Std = 0.2700, ChiSquare = 3.5648e-04