Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.259 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.881 HA3 :: 3.881 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.510 CA :: 58.275 CB :: 63.784 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.483 HB2 :: 3.815 HB3 :: 3.815 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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 C Shift Assignments>> C :: 174.774 CA :: 55.942 CB :: 29.722 CD2 :: 119.996 CE1 :: 137.309 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 :: 8.745 HA :: 4.689 HB2 :: 3.229 HB3 :: 3.134 HD2 :: 7.134 HE1 :: 8.207 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 :: 121.400 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.37 A 0.15 C Shift Assignments>> C :: 176.077 CA :: 55.263 CB :: 32.966 CG :: 31.826 CE :: 16.893 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 :: 8.526 HA :: 4.482 HB2 :: 2.009 HB3 :: 1.939 HG2 :: 2.488 HG3 :: 2.449 HE1 :: 2.060 HE2 :: 2.060 HE3 :: 2.060 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 :: 121.990 Ave N Shift Values>> N :: 120.1(3.88) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.549 CA :: 58.084 CB :: 63.694 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.461 HA :: 4.435 HB2 :: 3.855 HB3 :: 3.855 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 :: 117.420 Ave N Shift Values>> N :: 116.3(3.95) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 C Shift Assignments>> C :: 174.769 CA :: 56.064 CB :: 29.922 CD2 :: 119.996 CE1 :: 137.309 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 :: 8.648 HA :: 4.678 HB2 :: 3.210 HB3 :: 3.121 HD2 :: 7.134 HE1 :: 8.207 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 :: 121.469 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.737 CA :: 54.361 CB :: 41.020 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 :: 8.393 HA :: 4.575 HB2 :: 2.656 HB3 :: 2.656 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 :: 121.215 Ave N Shift Values>> N :: 120.73(4.2) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.320 CA :: 45.446 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.425 HA2 :: 3.971 HA3 :: 3.910 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.480 Ave N Shift Values>> N :: 109.91(4.29) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.14 M 0.03 HN Overlap>> 1.E91 1.E91 C Shift Assignments>> C :: 176.516 CA :: 55.908 CB :: 33.217 CG :: 24.688 CD :: 28.970 CE :: 41.826 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 :: 8.131 HA :: 4.331 HB2 :: 1.831 HB3 :: 1.741 HG2 :: 1.419 HG3 :: 1.378 HD2 :: 1.677 HD3 :: 1.677 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 :: 120.718 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.06 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.293 CA :: 56.101 CB :: 30.440 CG :: 36.342 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 :: 8.511 HA :: 4.330 HB2 :: 2.000 HB3 :: 1.895 HG2 :: 2.247 HG3 :: 2.247 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 :: 122.236 Ave N Shift Values>> N :: 120.68(3.68) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 M 0.12 K 0.09 Q 0.07 I 0.01 HN Overlap>> 1.I43 1.I43 C Shift Assignments>> CA :: 54.065 CB :: 30.061 CG :: 36.020 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 :: 8.556 HA :: 4.613 HB2 :: 2.056 HB3 :: 1.890 HG2 :: 2.288 HG3 :: 2.288 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 :: 124.205 Ave N Shift Values>> N :: 120.68(3.68) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.176 CA :: 63.186 CB :: 32.172 CG :: 27.281 CD :: 50.638 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 :: 4.464 HB2 :: 1.996 HB3 :: 2.270 HG2 :: 2.018 HG3 :: 2.018 HD2 :: 3.791 HD3 :: 3.744 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.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.003 CA :: 44.612 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.225 HA2 :: 3.802 HA3 :: 4.161 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.077 Ave N Shift Values>> N :: 109.91(4.29) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.192 CA :: 60.002 CB :: 39.610 CG1 :: 27.479 CG2 :: 17.601 CD1 :: 13.188 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 :: 8.513 HA :: 4.286 HB :: 1.856 HG12 :: 1.479 HG13 :: 1.163 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 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 :: 120.575 Ave N Shift Values>> N :: 121.6(4.72) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.03 L 0.01 C Shift Assignments>> C :: 177.397 CA :: 51.257 CB :: 19.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.582 HA :: 5.210 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.084 Ave N Shift Values>> N :: 123.23(3.7) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.36 R 0.08 M 0.01 HN Overlap>> 1.R65 1.R65 C Shift Assignments>> C :: 174.540 CA :: 55.163 CB :: 36.212 CG :: 24.246 CD :: 28.909 CE :: 41.403 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 :: 9.310 HA :: 4.683 HB2 :: 1.687 HB3 :: 1.786 HG2 :: 1.300 HG3 :: 1.246 HD2 :: 1.340 HD3 :: 1.246 HE2 :: 2.516 HE3 :: 2.516 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 :: 121.502 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.31 R 0.24 M 0.02 C Shift Assignments>> C :: 176.515 CA :: 55.188 CB :: 31.934 CG :: 25.080 CD :: 28.515 CE :: 41.902 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 :: 8.609 HA :: 4.814 HB2 :: 1.893 HB3 :: 1.705 HG2 :: 1.431 HG3 :: 1.341 HD2 :: 1.732 HD3 :: 1.637 HE2 :: 3.052 HE3 :: 2.956 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 :: 123.608 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.200 CA :: 59.892 CB :: 40.676 CG1 :: 25.728 CG2 :: 18.477 CD1 :: 14.522 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 :: 9.358 HA :: 4.724 HB :: 2.251 HG12 :: 1.366 HG13 :: 1.366 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 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 :: 122.593 Ave N Shift Values>> N :: 121.6(4.72) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.4 C 0.16 C Shift Assignments>> C :: 175.234 CA :: 53.220 CB :: 40.277 CG :: 176.952 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 :: 8.709 HA :: 4.947 HB2 :: 2.835 HB3 :: 2.787 HD21 :: 7.704 HD22 :: 6.934 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 :: 115.643 ND2 :: 113.639 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.509 CA :: 56.028 CB :: 64.979 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.567 HA :: 4.836 HB2 :: 3.956 HB3 :: 3.650 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 :: 112.624 Ave N Shift Values>> N :: 116.3(3.95) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.612 CA :: 64.302 CB :: 31.499 CG1 :: 19.032 CG2 :: 22.064 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 :: 9.110 HA :: 3.998 HB :: 2.492 HG11 :: 1.203 HG12 :: 1.203 HG13 :: 1.203 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 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 :: 120.746 Ave N Shift Values>> N :: 121.02(4.96) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.16 D 0.15 L 0.11 K 0.05 N 0.05 I 0.03 C Shift Assignments>> C :: 176.303 CA :: 56.430 CB :: 40.097 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 :: 8.409 HA :: 4.501 HB2 :: 2.768 HB3 :: 2.514 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 :: 122.528 Ave N Shift Values>> N :: 120.73(4.2) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.16 C 0.1 F 0.09 Y 0.07 N 0.05 R 0.05 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 178.487 CA :: 54.941 CB :: 41.407 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 :: 7.496 HA :: 4.788 HB2 :: 2.951 HB3 :: 2.840 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 :: 115.140 Ave N Shift Values>> N :: 120.73(4.2) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.18 C Shift Assignments>> C :: 174.439 CA :: 63.589 CB :: 37.111 CG1 :: 29.840 CG2 :: 18.665 CD1 :: 13.214 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 :: 7.741 HA :: 3.727 HB :: 2.108 HG12 :: 0.828 HG13 :: 1.652 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 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 :: 125.876 Ave N Shift Values>> N :: 121.6(4.72) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.45 G 0.04 C Shift Assignments>> C :: 175.405 CA :: 59.307 CB :: 42.414 CG1 :: 26.471 CG2 :: 17.616 CD1 :: 13.963 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 :: 7.156 HA :: 4.806 HB :: 2.116 HG12 :: 1.556 HG13 :: 1.078 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 HD11 :: 1.057 HD12 :: 1.057 HD13 :: 1.057 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 :: 120.508 Ave N Shift Values>> N :: 121.6(4.72) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.078 CA :: 63.817 CB :: 37.603 CG1 :: 28.216 CG2 :: 17.892 CD1 :: 13.192 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 :: 8.183 HA :: 3.479 HB :: 1.777 HG12 :: 1.628 HG13 :: 1.080 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 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 :: 119.898 Ave N Shift Values>> N :: 121.6(4.72) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.29 R 0.28 C Shift Assignments>> C :: 177.631 CA :: 59.248 CB :: 29.994 CG :: 26.115 CD :: 28.545 CE :: 41.597 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 :: 8.937 HA :: 3.701 HB2 :: 2.486 HB3 :: 2.051 HG2 :: 1.538 HG3 :: 1.538 HD2 :: 1.680 HD3 :: 1.642 HE2 :: 2.965 HE3 :: 2.965 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 :: 115.664 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 P 0.15 C 0.13 W 0.09 R 0.05 K 0.04 E 0.03 Q 0.02 H 0.02 V 0.02 C Shift Assignments>> C :: 173.682 CA :: 61.565 CB :: 28.187 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.808 HA :: 4.766 HB2 :: 2.577 HB3 :: 2.406 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.258 Ave N Shift Values>> N :: 119.95(4.79) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.39 E 0.03 N 0.01 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> C :: 175.195 CA :: 53.797 CB :: 30.177 CG :: 33.322 CD :: 178.052 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 :: 8.640 HA :: 5.655 HB2 :: 1.800 HB3 :: 1.653 HG2 :: 2.319 HG3 :: 2.319 HE21 :: 7.463 HE22 :: 6.401 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 :: 118.109 NE2 :: 108.072 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 H 0.13 K 0.12 R 0.12 W 0.09 E 0.07 Q 0.06 HN Overlap>> 1.N61 1.N61 C Shift Assignments>> C :: 171.247 CA :: 54.510 CB :: 31.756 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.205 HA :: 4.886 HB2 :: 2.789 HB3 :: 2.764 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 119.95(4.79) 1.W31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.43 H 0.07 C Shift Assignments>> C :: 175.202 CA :: 56.784 CB :: 29.253 CD1 :: 128.227 CE3 :: 119.262 CZ2 :: 114.934 CZ3 :: 122.024 CH2 :: 124.385 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 :: 9.398 HA :: 4.629 HB2 :: 3.107 HB3 :: 3.130 HD1 :: 7.449 HE1 :: 10.204 HE3 :: 7.183 HZ2 :: 7.527 HZ3 :: 7.138 HH2 :: 7.238 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 :: 124.551 NE1 :: 129.751 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 C Shift Assignments>> C :: 175.640 CA :: 59.628 CB :: 35.745 CG1 :: 22.559 CG2 :: 23.229 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 :: 9.161 HA :: 4.971 HB :: 1.994 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 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 :: 122.449 Ave N Shift Values>> N :: 121.02(4.96) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 C 0.42 E 0.12 HN Overlap>> 1.K64 1.K64 C Shift Assignments>> C :: 175.198 CA :: 56.315 CB :: 29.048 CG :: 33.328 CD :: 179.810 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 :: 9.059 HA :: 4.588 HB2 :: 2.137 HB3 :: 2.078 HG2 :: 2.400 HG3 :: 2.400 HE21 :: 7.529 HE22 :: 6.715 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 :: 125.695 NE2 :: 111.037 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.36 R 0.13 M 0.01 C Shift Assignments>> C :: 174.320 CA :: 54.427 CB :: 33.550 CG :: 24.209 CD :: 28.174 CE :: 41.792 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 :: 8.906 HA :: 4.415 HB2 :: 1.402 HB3 :: 1.402 HG2 :: 0.924 HG3 :: 0.615 HD2 :: 1.463 HD3 :: 1.378 HE2 :: 2.632 HE3 :: 2.558 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 :: 128.774 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 N 0.37 D 0.09 E 0.03 C Shift Assignments>> C :: 174.330 CA :: 55.158 CB :: 36.930 CG :: 177.392 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 :: 9.541 HA :: 4.219 HB2 :: 2.972 HB3 :: 2.948 HD21 :: 7.605 HD22 :: 7.039 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 :: 125.636 ND2 :: 112.973 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 C 0.14 N 0.14 F 0.13 Y 0.13 L 0.12 K 0.04 I 0.01 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 174.637 CA :: 55.007 CB :: 40.075 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 :: 8.658 HA :: 4.556 HB2 :: 2.814 HB3 :: 2.814 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 :: 118.173 Ave N Shift Values>> N :: 120.73(4.2) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.32 E 0.14 Q 0.02 C Shift Assignments>> C :: 174.591 CA :: 54.451 CB :: 33.169 CG :: 35.710 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 :: 7.934 HA :: 4.737 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.328 HG3 :: 2.168 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 :: 118.754 Ave N Shift Values>> N :: 120.68(3.68) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.24 M 0.19 I 0.01 C Shift Assignments>> C :: 176.099 CA :: 55.461 CB :: 32.532 CG :: 37.119 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 :: 8.461 HA :: 5.262 HB2 :: 2.108 HB3 :: 1.936 HG2 :: 2.287 HG3 :: 2.147 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 :: 120.143 Ave N Shift Values>> N :: 120.68(3.68) 1.R39 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 K 0.13 G 0.11 R 0.05 C Shift Assignments>> C :: 174.314 CA :: 54.293 CB :: 35.709 CG :: 26.814 CD :: 43.046 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 :: 9.493 HA :: 4.967 HB2 :: 1.872 HB3 :: 1.504 HG2 :: 1.649 HG3 :: 1.373 HD2 :: 2.263(S) HD3 :: 1.862(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 :: 122.266 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) 1.L40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.37 C 0.35 A 0.24 R 0.01 C Shift Assignments>> C :: 176.078 CA :: 54.882 CB :: 41.554 CG :: 25.999 CD1 :: 21.388 CD2 :: 25.145 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 :: 8.075 HA :: 3.550 HB2 :: 1.210 HB3 :: 0.083(S) HG :: 0.733 HD11 :: -0.172(S) HD12 :: -0.172(S) HD13 :: -0.172(S) HD21 :: 0.475 HD22 :: 0.475 HD23 :: 0.475 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 :: 125.818 Ave N Shift Values>> N :: 121.98(4.07) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.25 C 0.2 M 0.09 K 0.01 C Shift Assignments>> C :: 174.540 CA :: 50.098 CB :: 22.545 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.466 HA :: 5.040 HB1 :: 0.858 HB2 :: 0.858 HB3 :: 0.858 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.692 Ave N Shift Values>> N :: 123.23(3.7) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.2 E 0.13 C Shift Assignments>> C :: 175.661 CA :: 53.835 CB :: 33.160 CG :: 37.019 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 :: 9.325 HA :: 4.881 HB2 :: 1.708 HB3 :: 1.914 HG2 :: 1.919 HG3 :: 1.849 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 :: 121.238 Ave N Shift Values>> N :: 120.68(3.68) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 I 0.12 HN Overlap>> 1.E11 1.E11 C Shift Assignments>> C :: 175.858 CA :: 59.516 CB :: 35.361 CG1 :: 26.186 CG2 :: 18.605 CD1 :: 9.260 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 :: 8.550 HA :: 3.876 HB :: 2.179 HG12 :: 1.413 HG13 :: 1.006 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 HD11 :: 0.330 HD12 :: 0.330 HD13 :: 0.330 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 :: 124.167 Ave N Shift Values>> N :: 121.6(4.72) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.3 R 0.13 G 0.1 A 0.06 C Shift Assignments>> C :: 177.690 CA :: 55.695 CB :: 43.394 CG :: 26.944 CD1 :: 22.098 CD2 :: 25.701 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 :: 9.475 HA :: 4.549 HB2 :: 1.674 HB3 :: 1.521 HG :: 1.553 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 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 :: 129.595 Ave N Shift Values>> N :: 121.98(4.07) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.123 CA :: 57.679 CB :: 64.975 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.716 HA :: 4.541 HB2 :: 3.686 HB3 :: 3.607 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 :: 110.494 Ave N Shift Values>> N :: 116.3(3.95) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.27 G 0.01 C Shift Assignments>> C :: 174.983 CA :: 61.397 CB :: 41.784 CG1 :: 27.109 CG2 :: 17.138 CD1 :: 14.115 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 :: 8.651 HA :: 4.603 HB :: 1.675 HG12 :: 0.973 HG13 :: 1.377 HG21 :: 0.674 HG22 :: 0.674 HG23 :: 0.674 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 123.887 Ave N Shift Values>> N :: 121.6(4.72) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.18 C 0.15 C Shift Assignments>> C :: 176.080 CA :: 51.602 CB :: 39.116 CG :: 176.070 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 :: 9.161 HA :: 5.164 HB2 :: 2.576 HB3 :: 2.727 HD21 :: 6.992 HD22 :: 6.695 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 :: 125.536 ND2 :: 109.903 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 S 0.01 C Shift Assignments>> C :: 175.199 CA :: 60.792 CB :: 68.262 CG2 :: 21.842 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 :: 8.740 HA :: 4.407 HB :: 4.612 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 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 :: 115.175 Ave N Shift Values>> N :: 115.7(5.05) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.13 G 0.04 L 0.01 C Shift Assignments>> C :: 176.950 CA :: 58.244 CB :: 29.778 CG :: 27.783 CD :: 42.942 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 :: 8.320 HA :: 4.063 HB2 :: 1.905 HB3 :: 1.859 HG2 :: 1.721 HG3 :: 1.622 HD2 :: 3.185 HD3 :: 3.185 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 :: 122.313 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.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.42 R 0.05 M 0.01 C Shift Assignments>> C :: 173.662 CA :: 54.094 CB :: 34.709 CG :: 24.458 CD :: 28.469 CE :: 41.409 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 :: 7.230 HA :: 4.335 HB2 :: 1.711 HB3 :: 1.490 HG2 :: 1.239 HG3 :: 1.239 HD2 :: 1.600 HD3 :: 1.537 HE2 :: 2.863 HE3 :: 2.838 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 :: 116.589 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 G 0.1 M 0.04 C 0.03 C Shift Assignments>> CA :: 48.844 CB :: 19.620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.158 HA :: 4.413 HB1 :: 1.268 HB2 :: 1.268 HB3 :: 1.268 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.569 Ave N Shift Values>> N :: 123.23(3.7) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> CA :: 61.960 CB :: 32.580 CG :: 25.093 CD :: 50.172 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 :: 4.961 HB2 :: 2.578 HB3 :: 2.340 HG2 :: 2.015 HG3 :: 2.015 HD2 :: 3.586 HD3 :: 3.564 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.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.647 CA :: 62.909 CB :: 32.438 CG :: 27.413 CD :: 50.336 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 :: 4.553 HB2 :: 1.990 HB3 :: 1.385 HG2 :: 2.007 HG3 :: 1.943 HD2 :: 3.697 HD3 :: 3.796 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.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.26 K 0.16 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 175.199 CA :: 54.603 CB :: 37.252 CG :: 25.626 CD :: 29.621 CE :: 41.374 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 :: 7.485 HA :: 5.184 HB2 :: 1.547 HB3 :: 2.102 HG2 :: 1.589 HG3 :: 1.424 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.729 HE3 :: 2.678 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 :: 115.089 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 172.973 CA :: 56.156 CB :: 41.344 CD1 :: 131.613 CD2 :: 131.613 CE1 :: 131.574 CE2 :: 131.574 CZ :: 129.444 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 :: 8.854 HA :: 5.317 HB2 :: 2.662 HB3 :: 2.732 HD1 :: 7.019 HD2 :: 7.019 HE1 :: 7.201 HE2 :: 7.201 HZ :: 7.138 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 :: 118.341 Ave N Shift Values>> N :: 120.69(4.18) 1.Y56 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> C :: 175.421 CA :: 56.381 CB :: 37.707 CD1 :: 132.425 CD2 :: 132.425 CE1 :: 116.767 CE2 :: 116.767 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 :: 8.725 HA :: 4.369 HB2 :: 1.950 HB3 :: -0.030(A) HD1 :: 5.646 HD2 :: 5.646 HE1 :: 6.444 HE2 :: 6.444 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 :: 129.145 Ave N Shift Values>> N :: 120.79(4.69) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.05 V 0.04 I 0.01 C Shift Assignments>> C :: 172.278 CA :: 57.709 CB :: 34.818 CG1 :: 21.187 CG2 :: 17.192 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 :: 8.294 HA :: 5.158 HB :: 1.404 HG11 :: 0.515 HG12 :: 0.515 HG13 :: 0.515 HG21 :: 0.195 HG22 :: 0.195 HG23 :: 0.195 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 :: 119.533 Ave N Shift Values>> N :: 121.02(4.96) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 C 0.28 W 0.25 C Shift Assignments>> C :: 174.318 CA :: 52.507 CB :: 31.460 CD2 :: 119.311 CE1 :: 135.926 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 :: 8.030 HA :: 4.896 HB2 :: 2.975 HB3 :: 2.707 HD2 :: 7.081 HE1 :: 7.491 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 :: 115.772 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Y 0.48 H 0.01 C Shift Assignments>> CA :: 58.913 CB :: 36.403 CD1 :: 132.913 CD2 :: 132.913 CE1 :: 117.138 CE2 :: 117.138 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 :: 8.211 HA :: 4.281 HB2 :: 2.485 HB3 :: 2.485 HD1 :: 6.741 HD2 :: 6.741 HE1 :: 6.494 HE2 :: 6.494 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 :: 127.663 Ave N Shift Values>> N :: 120.79(4.69) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.832 CA :: 65.183 CB :: 31.181 CG1 :: 20.497 CG2 :: 20.909 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>> HA :: 3.357 HB :: 1.695 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.55 N 0.3 Q 0.11 E 0.02 HN Overlap>> 1.C30 1.C30 C Shift Assignments>> C :: 174.523 CA :: 55.359 CG :: 177.606 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 :: 9.158 HD21 :: 7.555 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>> N :: 118.666 ND2 :: 113.570 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 175.424 CA :: 57.225 CB :: 40.994 CD1 :: 133.689 CD2 :: 133.689 CE1 :: 117.396 CE2 :: 117.396 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 :: 8.228 HA :: 4.670 HB2 :: 3.006 HB3 :: 3.006 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 6.740 HE2 :: 6.740 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 :: 118.289 Ave N Shift Values>> N :: 120.79(4.69) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.37 C 0.22 C Shift Assignments>> C :: 177.131 CA :: 54.557 CB :: 40.181 CG :: 176.736 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 :: 8.749 HA :: 4.634 HB2 :: 3.007 HB3 :: 2.668 HD21 :: 8.128 HD22 :: 7.218 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 :: 119.626 ND2 :: 115.349 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.13 M 0.04 HN Overlap>> 1.Q33 1.Q33 C Shift Assignments>> C :: 177.841 CA :: 58.133 CB :: 32.189 CG :: 24.317 CD :: 29.263 CE :: 41.445 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 :: 9.068 HA :: 4.551 HB2 :: 1.981 HB3 :: 1.834 HG2 :: 1.497 HG3 :: 1.431 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.968 HE3 :: 2.968 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 :: 125.718 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.08 G 0.05 L 0.03 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 177.176 CA :: 58.249 CB :: 29.312 CG :: 27.591 CD :: 43.031 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 :: 9.330 HA :: 4.279 HB2 :: 1.935 HB3 :: 1.871 HG2 :: 1.680 HG3 :: 1.680 HD2 :: 3.225 HD3 :: 3.189 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 :: 121.445 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.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.26 R 0.17 A 0.03 G 0.01 C Shift Assignments>> C :: 176.079 CA :: 54.575 CB :: 42.177 CG :: 27.911 CD1 :: 25.879 CD2 :: 23.051 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 :: 7.824 HA :: 4.423 HB2 :: 2.116 HB3 :: 1.771 HG :: 1.672 HD11 :: 0.996 HD12 :: 0.996 HD13 :: 0.996 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 118.911 Ave N Shift Values>> N :: 121.98(4.07) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.2 F 0.16 N 0.15 D 0.12 E 0.04 L 0.04 I 0.03 C Shift Assignments>> C :: 176.509 CA :: 55.736 CB :: 38.724 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 :: 7.636 HA :: 4.466 HB2 :: 2.637 HB3 :: 2.203 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 :: 122.191 Ave N Shift Values>> N :: 120.73(4.2) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.32 Q 0.16 E 0.06 K 0.03 C Shift Assignments>> C :: 174.319 CA :: 54.793 CB :: 32.207 CG :: 33.571 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 :: 7.522 HA :: 4.842 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.405 HG3 :: 2.405 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 :: 115.669 Ave N Shift Values>> N :: 120.68(3.68) 1.W69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.45 H 0.05 C Shift Assignments>> C :: 177.216 CA :: 56.785 CB :: 30.215 CD1 :: 128.255 CE3 :: 120.370 CZ2 :: 115.464 CZ3 :: 122.448 CH2 :: 123.988 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 :: 8.802 HA :: 5.450 HB2 :: 3.307 HB3 :: 3.036 HD1 :: 7.533 HE1 :: 10.169 HE3 :: 7.412 HZ2 :: 7.290 HZ3 :: 6.795 HH2 :: 7.048 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 :: 120.329 NE1 :: 131.585 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.33 G 0.06 A 0.01 C Shift Assignments>> C :: 175.207 CA :: 59.192 CB :: 42.507 CG1 :: 26.353 CG2 :: 18.133 CD1 :: 15.897 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 :: 10.074 HA :: 5.101 HB :: 1.938 HG12 :: 1.580 HG13 :: 1.305 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 117.384 Ave N Shift Values>> N :: 121.6(4.72) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 176.737 CA :: 59.916 CB :: 70.215 CG2 :: 22.878 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 :: 7.331 HA :: 5.014 HB :: 4.654 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 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 :: 109.497 Ave N Shift Values>> N :: 115.7(5.05) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.904 CA :: 67.000 CB :: 69.294 CG2 :: 22.349 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 :: 9.002 HA :: 3.848 HB :: 4.292 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 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 :: 114.999 Ave N Shift Values>> N :: 115.7(5.05) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 C 0.15 Y 0.15 F 0.15 N 0.14 L 0.1 K 0.03 I 0.01 C Shift Assignments>> C :: 176.297 CA :: 55.265 CB :: 39.851 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 :: 8.541 HA :: 4.446 HB2 :: 2.783 HB3 :: 2.741 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 :: 117.509 Ave N Shift Values>> N :: 120.73(4.2) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.42 G 0.09 C Shift Assignments>> C :: 176.298 CA :: 55.987 CB :: 30.784 CG :: 26.840 CD :: 43.449 CZ :: 159.906 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 :: 7.589 HA :: 4.367 HB2 :: 1.991 HB3 :: 2.443 HG2 :: 1.805 HG3 :: 1.939 HD2 :: 3.287 HD3 :: 3.406 HE :: 7.159 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 :: 116.471 NE :: 82.937 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.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 175.185 CA :: 61.888 CB :: 38.214 CG1 :: 28.333 CG2 :: 17.224 CD1 :: 13.225 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 :: 7.518 HA :: 4.157 HB :: 1.798 HG12 :: 1.511 HG13 :: 0.695 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 HD11 :: 0.269 HD12 :: 0.269 HD13 :: 0.269 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 :: 119.917 Ave N Shift Values>> N :: 121.6(4.72) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.25 D 0.08 C Shift Assignments>> C :: 175.858 CA :: 51.652 CB :: 37.028 CG :: 177.394 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 :: 4.843 HB2 :: 3.140 HB3 :: 2.621 HD21 :: 8.820 HD22 :: 7.089 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 :: 126.244 ND2 :: 112.467 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 A 0.06 C Shift Assignments>> C :: 178.052 CA :: 55.051 CB :: 40.115 CG :: 26.484 CD1 :: 25.516 CD2 :: 22.570 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 :: 8.598 HA :: 4.484 HB2 :: 1.844 HB3 :: 1.728 HG :: 1.618 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 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 :: 124.765 Ave N Shift Values>> N :: 121.98(4.07) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.17 F 0.13 K 0.13 C 0.12 Y 0.12 N 0.05 R 0.02 I 0.01 C Shift Assignments>> C :: 176.731 CA :: 55.636 CB :: 40.849 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 :: 8.524 HA :: 4.631 HB2 :: 2.872 HB3 :: 2.707 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 :: 118.323 Ave N Shift Values>> N :: 120.73(4.2) 1.K79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.3 R 0.19 C Shift Assignments>> C :: 175.421 CA :: 54.714 CB :: 35.772 CG :: 26.358 CD :: 28.759 CE :: 41.258 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 :: 6.980 HA :: 4.378 HB2 :: 1.671 HB3 :: 1.869 HG2 :: 1.216 HG3 :: 1.082 HD2 :: 1.107 HD3 :: 0.738(S) HE2 :: 2.389 HE3 :: 2.246(S) 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 :: 118.512 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.11 M 0.06 K 0.05 Q 0.01 C Shift Assignments>> C :: 175.447 CA :: 57.821 CB :: 30.091 CG :: 36.707 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 :: 8.727 HA :: 4.017 HB2 :: 1.961 HB3 :: 1.847 HG2 :: 2.253 HG3 :: 2.253 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 :: 118.897 Ave N Shift Values>> N :: 120.68(3.68) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.759 CA :: 61.336 CB :: 34.347 CG1 :: 21.963 CG2 :: 21.829 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 :: 8.898 HA :: 4.434 HB :: 2.132 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 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 :: 122.746 Ave N Shift Values>> N :: 121.02(4.96) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.22 G 0.05 R 0.04 A 0.01 C Shift Assignments>> C :: 177.174 CA :: 53.671 CB :: 42.895 CG :: 27.293 CD1 :: 24.370 CD2 :: 24.014 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 :: 8.875 HA :: 4.946 HB2 :: 1.437 HB3 :: 1.678 HG :: 1.570 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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 :: 126.518 Ave N Shift Values>> N :: 121.98(4.07) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 56.008 CB :: 38.797 CD1 :: 132.952 CD2 :: 132.952 CE1 :: 117.988 CE2 :: 117.988 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 :: 9.385 HA :: 4.816 HB2 :: 3.074 HB3 :: 3.034 HD1 :: 7.236 HD2 :: 7.236 HE1 :: 6.707 HE2 :: 6.707 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 :: 127.272 Ave N Shift Values>> N :: 120.79(4.69) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.528 CA :: 62.163 CB :: 32.142 CG :: 27.147 CD :: 50.672 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 :: 4.523 HB2 :: 2.152 HB3 :: 1.953 HG2 :: 2.061 HG3 :: 2.061 HD2 :: 3.746 HD3 :: 3.478 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.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.15 M 0.03 C Shift Assignments>> C :: 176.368 CA :: 56.467 CB :: 33.003 CG :: 24.932 CD :: 29.020 CE :: 41.809 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 :: 8.516 HA :: 4.205 HB2 :: 1.790 HB3 :: 1.680 HG2 :: 1.426 HG3 :: 1.392 HD2 :: 1.675 HD3 :: 1.675 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 :: 121.567 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.25 R 0.06 G 0.03 A 0.02 C Shift Assignments>> C :: 177.146 CA :: 54.744 CB :: 42.575 CG :: 26.875 CD1 :: 24.931 CD2 :: 23.460 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 :: 8.382 HA :: 4.392 HB2 :: 1.634 HB3 :: 1.555 HG :: 1.643 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 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 :: 125.609 Ave N Shift Values>> N :: 121.98(4.07) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.15 M 0.03 C Shift Assignments>> C :: 176.298 CA :: 56.021 CB :: 33.244 CG :: 24.707 CD :: 29.246 CE :: 42.020 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 :: 8.399 HA :: 4.328 HB2 :: 1.824 HB3 :: 1.741 HG2 :: 1.436 HG3 :: 1.414 HD2 :: 1.679 HD3 :: 1.679 HE2 :: 2.987 HE3 :: 2.987 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 :: 123.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 178.051 CA :: 52.525 CB :: 19.337 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.590 HA :: 4.381 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.653 Ave N Shift Values>> N :: 123.23(3.7) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.546 CA :: 61.514 CB :: 69.782 CG2 :: 21.493 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 :: 8.195 HA :: 4.353 HB :: 4.278 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 112.572 Ave N Shift Values>> N :: 115.7(5.05) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.18 K 0.13 F 0.12 C 0.12 Y 0.1 N 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 176.024 CA :: 55.428 CB :: 40.955 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 :: 8.375 HA :: 4.628 HB2 :: 2.708 HB3 :: 2.708 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 :: 121.744 Ave N Shift Values>> N :: 120.73(4.2) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.06 Q 0.03 I 0.03 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 175.417 CA :: 56.189 CB :: 30.487 CG :: 36.358 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 :: 8.160 HA :: 4.336 HB2 :: 2.104 HB3 :: 1.887 HG2 :: 2.246 HG3 :: 2.246 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 :: 120.663 Ave N Shift Values>> N :: 120.68(3.68) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.11 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> CA :: 56.103 CB :: 42.192 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 :: 8.020 HA :: 4.365 HB2 :: 2.666 HB3 :: 2.557 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 :: 127.010 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 88 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 1 C Shift Results: #Consistent: 431 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 667 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 96 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R39 HD2 = 2.263(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.6353e-04 1.R39 HD3 = 1.862(S), Expected = 3.13, Std = 0.2200, ChiSquare = 8.2321e-09 1.R39 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.L40 HB3 = 0.083(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.6189e-05 1.L40 HD11 = -0.172(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.8503e-04 1.L40 HD12 = -0.172(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.8503e-04 1.L40 HD13 = -0.172(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.8503e-04 1.Y56 HB3 = -0.030(A), Expected = 2.91, Std = 0.3700, ChiSquare = 1.9271e-15 1.K79 HD3 = 0.738(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.8665e-04 1.K79 HE3 = 2.246(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.2621e-04