Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.331 HB1 :: 1.586 HB2 :: 1.586 HB3 :: 1.586 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.453 HA :: 4.516 HB2 :: 2.125 HB3 :: 1.721 HG2 :: 1.779 HG3 :: 1.452 HD2 :: 3.550 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) 1.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.344 HA :: 5.125 HB :: 4.327 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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) 1.K4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.492 HA :: 4.345 HB2 :: 2.110 HB3 :: 1.798 HG2 :: 1.448 HG3 :: 1.367 HD2 :: 1.762 HE2 :: 3.320 HE3 :: 3.094 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) 1.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.492 HA :: 4.066 HB2 :: 1.969 HB3 :: 1.813 HG2 :: 2.370 HG3 :: 2.176 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) 1.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.296 HA :: 4.391 HB :: 4.107 HG21 :: 1.285 HG22 :: 1.285 HG23 :: 1.285 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) 1.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.398 HA :: 4.331 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.374 HA :: 4.279 HB2 :: 2.127 HB3 :: 1.767 HG2 :: 1.657 HD2 :: 3.202 HE :: 7.175 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) 1.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.429 HA :: 4.119 HB2 :: 1.881 HB3 :: 1.708 HG2 :: 1.443 HD2 :: 1.652 HE2 :: 3.190 HE3 :: 3.091 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) 1.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.534 HA :: 4.560 HB2 :: 3.797 HB3 :: 3.633 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.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.337 HA :: 4.208 HB :: 4.002 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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) 1.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.477 HA2 :: 4.011 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.335 HA2 :: 3.912 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.ALY14 Overall Status: Residue type ALY not supported. 1.A15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.042 HA :: 4.519 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.518 HB2 :: 2.291 HB3 :: 1.862 HG2 :: 2.023 HG3 :: 1.429 HD2 :: 3.835 HD3 :: 3.635 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.R17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.556 HA :: 4.291 HB2 :: 1.865 HB3 :: 1.786 HG2 :: 1.680 HD2 :: 3.217 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) 1.K18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.040 HA :: 4.201 HB2 :: 1.968 HB3 :: 1.915 HG2 :: 1.559 HG3 :: 1.472 HD2 :: 1.696 HE2 :: 2.981 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) 1.Q19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.120 HA :: 4.401 HB2 :: 2.095 HB3 :: 1.962 HG2 :: 2.346 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) 1.L20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.422 HA :: 4.268 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 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) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.440 CB :: 63.920 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.445 HB2 :: 3.737 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) 2.Y3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> CA :: 55.790 CB :: 40.950 CD1 :: 133.720 CE1 :: 117.980 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 :: 7.560 HA :: 4.770 HB2 :: 2.763 HB3 :: 2.541 HD1 :: 6.885 HE1 :: 6.813 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 :: 117.690 Ave N Shift Values>> N :: 120.79(4.69) 2.C4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.13 R 0.13 K 0.12 M 0.11 E 0.11 H 0.09 Q 0.06 V 0.04 I 0.01 C Shift Assignments>> CA :: 57.960 CB :: 31.650 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.875 HA :: 3.953 HB2 :: 3.440 HB3 :: 1.903 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 :: 122.770 Ave N Shift Values>> N :: 119.95(4.79) 2.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 R 0.19 L 0.17 F 0.12 C 0.12 Y 0.09 D 0.05 I 0.01 C Shift Assignments>> CA :: 57.570 CB :: 42.360 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 :: 8.870 HA :: 4.533 HB2 :: 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 :: 113.140 Ave N Shift Values>> N :: 120.73(4.2) 2.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.19 C Shift Assignments>> CA :: 60.480 CB :: 40.535 CD1 :: 131.920 CE1 :: 131.520 CZ :: 129.980 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 :: 8.987 HA :: 4.593 HB2 :: 3.395 HB3 :: 3.032 HD1 :: 7.319 HE1 :: 7.225 HZ :: 7.228 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 :: 118.216 Ave N Shift Values>> N :: 120.69(4.18) 2.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.14 V 0.11 M 0.11 W 0.1 R 0.08 Q 0.07 E 0.06 H 0.06 I 0.01 HN Overlap>> 2.C79 2.C79 C Shift Assignments>> CA :: 58.920 CB :: 32.603 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.417 HA :: 5.053 HB2 :: 3.280 HB3 :: 3.037 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 :: 117.440 Ave N Shift Values>> N :: 119.95(4.79) 2.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.29 HN Overlap>> 2.C64 2.C64 C Shift Assignments>> CA :: 57.800 CB :: 38.910 CG :: 27.920 CD1 :: 25.770 CD2 :: 23.370 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 :: 8.173 HA :: 4.400 HB2 :: 2.262 HB3 :: 1.604 HG :: 1.449 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.250 Ave N Shift Values>> N :: 121.98(4.07) 2.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.390 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.436 HA2 :: 4.581 HA3 :: 4.522 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.640 Ave N Shift Values>> N :: 109.91(4.29) 2.G10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.690 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.474 HA2 :: 4.720 HA3 :: 4.110 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 124.810(S) Ave N Shift Values>> N :: 109.91(4.29) 2.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.070 CB :: 63.150 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.221 HA :: 5.051 HB2 :: 3.930 HB3 :: 3.820 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 :: 119.350 Ave N Shift Values>> N :: 116.3(3.95) 2.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.23 Y 0.13 F 0.09 D 0.08 E 0.08 M 0.02 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.560 CB :: 37.830 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 :: 8.513 HA :: 4.445 HB2 :: 2.829 HB3 :: 2.788 HD21 :: 7.698 HD22 :: 6.993 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 :: 117.000 ND2 :: 114.180 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.47 A 0.03 C Shift Assignments>> CA :: 56.780 CB :: 32.480 CG :: 31.520 CE :: 16.180 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 :: 7.210 HA :: 4.010 HB2 :: 2.034 HB3 :: 1.820 HG2 :: 2.407 HG3 :: 1.771 HE1 :: 1.981 HE2 :: 1.981 HE3 :: 1.981 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 :: 116.060 Ave N Shift Values>> N :: 120.1(3.88) 2.N14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.36 C 0.23 Y 0.11 D 0.08 E 0.07 F 0.06 M 0.03 L 0.01 C Shift Assignments>> CA :: 53.980 CB :: 37.640 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 :: 8.301 HA :: 4.205 HB2 :: 3.457 HB3 :: 1.353(S) HD21 :: 7.321 HD22 :: 6.438 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 :: 110.880 ND2 :: 116.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.32 K 0.26 G 0.01 C Shift Assignments>> CA :: 58.930 CB :: 32.480 CG :: 26.968 CD :: 29.130 CE :: 42.309 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 :: 8.352 HA :: 4.010 HB2 :: 2.013 HB3 :: 1.801 HG2 :: 1.571 HG3 :: 1.374 HD2 :: 1.752 HE2 :: 3.000 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 :: 112.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.32 R 0.27 G 0.02 M 0.01 HN Overlap>> 2.D28 2.D28 C Shift Assignments>> CA :: 58.520 CB :: 32.430 CG :: 25.530 CD :: 29.370 CE :: 42.790 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 :: 8.839 HA :: 4.310 HB2 :: 1.931 HG2 :: 1.456 HG3 :: 1.381 HD2 :: 1.846 HE2 :: 2.985 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 :: 120.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 58.580 CB :: 65.180 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.710 HA :: 4.340 HB2 :: 3.870 HB3 :: 3.660 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 :: 113.550 Ave N Shift Values>> N :: 116.3(3.95) 2.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> CA :: 46.710 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.430 HA2 :: 4.038 HA3 :: 3.774 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.710 Ave N Shift Values>> N :: 109.91(4.29) 2.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.35 G 0.19 K 0.06 C Shift Assignments>> CA :: 53.400 CB :: 32.240 CG :: 26.970 CD :: 43.750 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 :: 7.710 HA :: 4.889 HB2 :: 1.812 HB3 :: 1.524 HG2 :: 1.512 HD2 :: 3.140 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 :: 119.340 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 64.020 CB :: 32.640 CG :: 28.080 CD :: 51.170 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.916 HB2 :: 2.330 HB3 :: 1.810 HG2 :: 2.066 HD2 :: 3.794 HD3 :: 3.573 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) 2.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.28 M 0.23 Q 0.02 I 0.01 C Shift Assignments>> CA :: 56.920 CB :: 32.463 CG :: 36.080 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 :: 7.393 HA :: 4.207 HB2 :: 1.966 HB3 :: 1.491 HG2 :: 2.883 HG3 :: 2.441 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 :: 123.170 Ave N Shift Values>> N :: 120.68(3.68) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> CA :: 56.953 CB :: 30.320 CG :: 36.320 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 :: 8.440 HA :: 4.162 HB2 :: 2.040 HG2 :: 2.230 HG3 :: 2.060 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 :: 123.870 Ave N Shift Values>> N :: 120.68(3.68) 2.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.32 C 0.19 R 0.06 A 0.02 C Shift Assignments>> CA :: 53.900 CB :: 44.520 CG :: 27.210 CD1 :: 26.490 CD2 :: 23.370 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 :: 7.981 HA :: 4.409 HB2 :: 1.484 HB3 :: 0.859 HG :: 1.231 HD11 :: 0.522 HD12 :: 0.522 HD13 :: 0.522 HD21 :: -0.087 HD22 :: -0.087 HD23 :: -0.087 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.020 Ave N Shift Values>> N :: 121.98(4.07) 2.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> CA :: 61.300 CB :: 33.600 CG1 :: 21.100 CG2 :: 20.490 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 :: 8.506 HA :: 4.234 HB :: 1.465 HG11 :: 0.303 HG12 :: 0.303 HG13 :: 0.303 HG21 :: 0.334 HG22 :: 0.334 HG23 :: 0.334 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 :: 120.630 Ave N Shift Values>> N :: 121.02(4.96) 2.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> CA :: 57.420 CB :: 66.350 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.452 HA :: 5.378 HB2 :: 3.500 HB3 :: 3.425 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 :: 117.840 Ave N Shift Values>> N :: 116.3(3.95) 2.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 V 0.11 R 0.11 E 0.11 H 0.07 I 0.06 K 0.06 M 0.05 Q 0.04 P 0.02 C Shift Assignments>> CA :: 59.820 CB :: 31.060 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.356 HA :: 4.314 HB2 :: 3.304 HB3 :: 2.765 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 :: 111.470 Ave N Shift Values>> N :: 119.95(4.79) 2.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.39 C 0.06 L 0.04 V 0.02 T 0.01 I 0.01 C Shift Assignments>> CA :: 55.050 CB :: 19.950 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.083 HA :: 4.092 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.580 Ave N Shift Values>> N :: 123.23(3.7) 2.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.21 K 0.16 C 0.11 F 0.09 D 0.06 Y 0.06 G 0.01 HN Overlap>> 2.K16 2.K16 C Shift Assignments>> CA :: 56.860 CB :: 42.710 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 :: 8.891 HA :: 4.751 HB2 :: 3.030 HB3 :: 2.650 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 :: 119.962 Ave N Shift Values>> N :: 120.73(4.2) 2.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 V 0.15 K 0.13 M 0.1 Q 0.09 W 0.09 R 0.06 E 0.05 H 0.04 I 0.01 P 0.01 C Shift Assignments>> CA :: 59.364 CB :: 32.996 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.435 HA :: 4.966 HB2 :: 3.170 HB3 :: 2.541 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 :: 119.213 Ave N Shift Values>> N :: 119.95(4.79) 2.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.640 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.620 HA2 :: 4.220 HA3 :: 3.852 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.020 Ave N Shift Values>> N :: 109.91(4.29) 2.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.27 G 0.21 K 0.05 C Shift Assignments>> CA :: 59.690 CB :: 30.810 CG :: 29.610 CD :: 43.980 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 :: 9.032 HA :: 4.100 HB2 :: 1.979 HB3 :: 1.826 HG2 :: 2.004 HG3 :: 1.742 HD2 :: 3.480 HD3 :: 3.211 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 :: 125.690 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.S32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.57 S 0.42 HN Overlap>> 2.D71 2.D71 C Shift Assignments>> CA :: 57.360 CB :: 67.360 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.952 HA :: 5.960(S) HB2 :: 3.510 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.345 Ave N Shift Values>> N :: 116.3(3.95) 2.G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.218 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.649 HA2 :: 5.317(S) HA3 :: 3.440 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 121.680 Ave N Shift Values>> N :: 109.91(4.29) 2.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.33 C 0.31 C Shift Assignments>> CA :: 56.530 CB :: 31.060 CD2 :: 120.983 CE1 :: 138.498 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 :: 8.653 HA :: 5.166 HB2 :: 3.503 HB3 :: 3.240 HD2 :: 7.348 HE1 :: 7.471 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 :: 123.180 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.78 P 0.2 C Shift Assignments>> CA :: 66.800 CB :: 32.300 CG :: 28.650 CD :: 51.897 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.335 HB2 :: 2.508 HB3 :: 2.084 HG2 :: 2.251 HG3 :: 1.551 HD2 :: 4.267 HD3 :: 3.941 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) 2.T36 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>> CA :: 66.640 CB :: 69.140 CG2 :: 21.690 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 :: 9.703 HA :: 4.096 HB :: 4.067 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 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 :: 126.600 Ave N Shift Values>> N :: 115.7(5.05) 2.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 P 0.27 V 0.2 C 0.1 W 0.05 R 0.01 E 0.01 C Shift Assignments>> CA :: 63.750 CB :: 29.780 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.943 HA :: 3.912 HB2 :: 3.120 HB3 :: 2.898 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 :: 125.700 Ave N Shift Values>> N :: 119.95(4.79) 2.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.28 R 0.24 K 0.03 G 0.01 C Shift Assignments>> CA :: 55.730 CB :: 42.340 CG :: 27.920 CD1 :: 26.490 CD2 :: 25.050 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 :: 7.636 HA :: 3.506 HB2 :: 0.896 HB3 :: 0.782 HG :: 1.079 HD11 :: 0.057 HD12 :: 0.057 HD13 :: 0.057 HD21 :: 1.014 HD22 :: 1.014 HD23 :: 1.014 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 :: 118.524 Ave N Shift Values>> N :: 121.98(4.07) 2.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.36 Q 0.09 M 0.04 R 0.04 I 0.01 E 0.01 V 0.01 C Shift Assignments>> CA :: 56.920 CB :: 25.140 CG :: 34.400 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.475 HA :: 3.772 HB2 :: 2.364 HB3 :: 2.191 HG2 :: 2.104 HE21 :: 7.382 HE22 :: 6.690 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 :: 111.440 NE2 :: 112.110 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Y 0.32 F 0.19 C Shift Assignments>> CA :: 55.170 CB :: 37.780 CD1 :: 128.870 CE1 :: 131.370 CE2 :: 129.350 CZ :: 129.351 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 :: 8.147 HA :: 5.017 HB2 :: 3.219 HB3 :: 2.834 HD1 :: 6.880 HE1 :: 6.931 HE2 :: 6.228 HZ :: 6.640 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 :: 118.690 Ave N Shift Values>> N :: 120.69(4.18) 2.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> CA :: 60.620 CB :: 71.590 CG2 :: 22.650 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 :: 7.560 HA :: 4.510 HB :: 4.781 HG21 :: 1.444 HG22 :: 1.444 HG23 :: 1.444 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 :: 112.275 Ave N Shift Values>> N :: 115.7(5.05) 2.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.4 R 0.1 C Shift Assignments>> CA :: 59.190 CB :: 41.640 CG :: 27.690 CD1 :: 25.290 CD2 :: 24.370 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 :: 8.829 HA :: 4.067 HB2 :: 1.722 HB3 :: 1.617 HG :: 1.698 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 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 :: 123.855 Ave N Shift Values>> N :: 121.98(4.07) 2.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.15 F 0.13 N 0.08 I 0.04 D 0.04 M 0.03 L 0.01 K 0.01 C Shift Assignments>> CA :: 56.380 CB :: 37.650 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 :: 8.620 HA :: 4.415 HB2 :: 2.915 HB3 :: 2.774 HD21 :: 7.801 HD22 :: 6.913 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 :: 116.460 ND2 :: 113.016 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.4 I 0.03 C Shift Assignments>> CA :: 59.550 CB :: 34.390 CG :: 32.480 CE :: 18.341 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 :: 7.587 HA :: 3.886 HB2 :: 1.786 HB3 :: 1.385 HG2 :: 2.058 HG3 :: 1.503 HE1 :: 1.886 HE2 :: 1.886 HE3 :: 1.886 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 :: 121.630 Ave N Shift Values>> N :: 120.1(3.88) 2.T45 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>> CA :: 67.540 CB :: 68.890 CG2 :: 22.410 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 :: 7.923 HA :: 3.572 HB :: 4.381 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 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 :: 114.915 Ave N Shift Values>> N :: 115.7(5.05) 2.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.13 K 0.09 Q 0.04 M 0.03 C Shift Assignments>> CA :: 58.780 CB :: 29.580 CG :: 36.070 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 :: 7.296 HA :: 4.064 HB2 :: 2.038 HB3 :: 2.003 HG2 :: 2.365 HG3 :: 2.279 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 :: 116.270 Ave N Shift Values>> N :: 120.68(3.68) 2.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.26 C 0.05 V 0.03 I 0.03 L 0.02 T 0.01 C Shift Assignments>> CA :: 55.920 CB :: 19.450 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.126 HA :: 4.208 HB1 :: 1.611 HB2 :: 1.611 HB3 :: 1.611 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.710 Ave N Shift Values>> N :: 123.23(3.7) 2.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> CA :: 64.959 CB :: 30.973 CG1 :: 21.690 CG2 :: 19.780 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 :: 8.348 HA :: 4.048 HB :: 2.012 HG11 :: 0.636 HG12 :: 0.636 HG13 :: 0.636 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 112.950 Ave N Shift Values>> N :: 121.02(4.96) 2.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.32 K 0.28 G 0.01 M 0.01 C Shift Assignments>> CA :: 57.930 CB :: 32.890 CG :: 26.250 CD :: 29.850 CE :: 42.550 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 :: 6.985 HA :: 4.267 HB2 :: 2.058 HB3 :: 1.802 HG2 :: 1.723 HG3 :: 1.424 HD2 :: 1.672 HE2 :: 2.900 HE3 :: 2.850 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 :: 115.880 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.360 CB :: 71.750 CG2 :: 21.940 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 :: 8.040 HA :: 4.542 HB :: 4.614 HG21 :: 1.330 HG22 :: 1.330 HG23 :: 1.330 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.400 Ave N Shift Values>> N :: 115.7(5.05) 2.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.47 HN Overlap>> 2.V92 2.V92 C Shift Assignments>> CA :: 56.030 CB :: 39.520 CD1 :: 134.450 CE1 :: 117.350 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 :: 7.654 HA :: 4.948 HB2 :: 3.153 HB3 :: 2.951 HD1 :: 6.978 HE1 :: 6.766 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 :: 120.165 Ave N Shift Values>> N :: 120.79(4.69) 2.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.31 K 0.3 M 0.03 G 0.02 C Shift Assignments>> CA :: 55.730 CB :: 30.630 CG :: 25.290 CD :: 29.840 CE :: 42.550 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 :: 8.261 HA :: 4.347 HB2 :: 1.851 HB3 :: 1.573 HG2 :: 1.580 HG3 :: 1.370 HD2 :: 1.691 HE2 :: 2.985 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 :: 119.910 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.W53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> W 0.59 C 0.38 H 0.01 C Shift Assignments>> CA :: 59.680 CB :: 29.000 CD1 :: 127.100 CE3 :: 120.318 CZ2 :: 114.270 CZ3 :: 120.011 CH2 :: 123.830 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.557 HA :: 3.959 HB2 :: 2.955 HB3 :: 2.600 HD1 :: 7.312 HE1 :: 11.660 HE3 :: 7.045 HZ2 :: 7.536 HZ3 :: 6.630 HH2 :: 6.965 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 :: 113.510 NE1 :: 115.600(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 2.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.35 E 0.02 Q 0.01 C Shift Assignments>> CA :: 52.620 CB :: 34.520 CG :: 33.920 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.406 HA :: 5.041 HB2 :: 1.572 HB3 :: 1.370 HG2 :: 2.192 HG3 :: 2.072 HE21 :: 8.590 HE22 :: 6.610 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 :: 124.220 NE2 :: 118.240 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.12 Q 0.1 M 0.06 K 0.06 I 0.02 V 0.02 C Shift Assignments>> CA :: 57.870 CB :: 30.550 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.845 HA :: 3.830 HB2 :: 3.334 HB3 :: 2.451 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 :: 120.608 Ave N Shift Values>> N :: 119.95(4.79) 2.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 66.280 CB :: 39.100 CG1 :: 30.560 CG2 :: 18.580 CD1 :: 15.460 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 :: 8.290 HA :: 3.488 HB :: 2.006 HG12 :: 2.031 HG13 :: 1.307 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 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 :: 114.930 Ave N Shift Values>> N :: 121.6(4.72) 2.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.15 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> CA :: 59.140 CB :: 30.050 CG :: 36.300 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 :: 7.760 HA :: 4.091 HB2 :: 2.007 HG2 :: 2.312 HG3 :: 2.238 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 :: 116.260 Ave N Shift Values>> N :: 120.68(3.68) 2.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.29 V 0.26 I 0.14 C 0.12 W 0.07 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> CA :: 62.434 CB :: 30.901 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.204 HA :: 3.843 HB2 :: 3.031 HB3 :: 2.524 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 :: 123.100 Ave N Shift Values>> N :: 119.95(4.79) 2.K59 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.53 K 0.28 R 0.1 M 0.06 C Shift Assignments>> CA :: 58.260 CB :: 31.050 CG :: 23.130 CD :: 28.880 CE :: 40.630 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 :: 7.369 HA :: 3.255 HB2 :: 1.463 HB3 :: 1.308 HG2 :: 1.198 HG3 :: 0.955 HD2 :: 1.241 HE2 :: 1.721(S) HE3 :: 1.311(A) 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 :: 117.470 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) 2.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.02 C Shift Assignments>> CA :: 55.476 CB :: 65.880 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.014 HA :: 4.408 HB2 :: 3.512 HB3 :: 3.418 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 :: 119.600 Ave N Shift Values>> N :: 116.3(3.95) 2.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.13 W 0.12 M 0.12 R 0.12 E 0.1 H 0.09 V 0.05 Q 0.05 I 0.01 C Shift Assignments>> CA :: 58.040 CB :: 31.900 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.993 HA :: 3.930 HB2 :: 3.328 HB3 :: 1.675 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 :: 121.860 Ave N Shift Values>> N :: 119.95(4.79) 2.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> CA :: 61.460 CB :: 38.020 CG1 :: 28.410 CG2 :: 18.820 CD1 :: 12.590 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 :: 8.690 HA :: 3.940 HB :: 1.825 HG12 :: 1.360 HG13 :: 1.153 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 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 :: 113.650 Ave N Shift Values>> N :: 121.6(4.72) 2.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.31 L 0.26 K 0.03 G 0.01 HN Overlap>> 2.E97 2.E97 C Shift Assignments>> CA :: 57.400 CB :: 42.360 CG :: 27.920 CD1 :: 27.440 CD2 :: 22.890 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 :: 8.560 HA :: 4.483 HB2 :: 1.961 HB3 :: 1.692 HG :: 1.953 HD11 :: 1.133 HD12 :: 1.133 HD13 :: 1.133 HD21 :: 1.080 HD22 :: 1.080 HD23 :: 1.080 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 121.98(4.07) 2.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.12 K 0.1 E 0.1 M 0.09 V 0.08 H 0.08 Q 0.04 I 0.02 HN Overlap>> 2.L8 2.L8 C Shift Assignments>> CA :: 58.860 CB :: 31.670 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.227 HA :: 5.125 HB2 :: 3.330 HB3 :: 3.150 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 :: 117.284 Ave N Shift Values>> N :: 119.95(4.79) 2.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.04 C Shift Assignments>> CA :: 46.568 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.193 HA2 :: 4.222 HA3 :: 3.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.065 Ave N Shift Values>> N :: 109.91(4.29) 2.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 61.150 CB :: 72.120 CG2 :: 21.698 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 :: 8.512 HA :: 5.072 HB :: 4.628 HG21 :: 1.348 HG22 :: 1.348 HG23 :: 1.348 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.014 Ave N Shift Values>> N :: 115.7(5.05) 2.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.800 CB :: 63.820 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.987 HA :: 4.656 HB2 :: 3.909 HB3 :: 3.761 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 :: 114.927 Ave N Shift Values>> N :: 116.3(3.95) 2.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 M 0.18 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> CA :: 56.330 CB :: 31.315 CG :: 36.320 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 :: 7.388 HA :: 4.370 HB2 :: 2.105 HB3 :: 1.843 HG2 :: 2.337 HG3 :: 2.258 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 :: 118.713 Ave N Shift Values>> N :: 120.68(3.68) 2.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.25 Y 0.13 E 0.1 F 0.08 D 0.07 M 0.03 I 0.01 L 0.01 K 0.01 C Shift Assignments>> CA :: 54.550 CB :: 37.571 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 :: 9.216 HA :: 4.555 HB2 :: 3.185 HB3 :: 2.815 HD21 :: 7.669 HD22 :: 6.936 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 :: 116.026 ND2 :: 115.050 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 L 0.08 I 0.07 K 0.07 D 0.07 N 0.01 C Shift Assignments>> CA :: 57.840 CB :: 40.280 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 :: 8.791 HA :: 4.123 HB2 :: 2.730 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 :: 119.000 Ave N Shift Values>> N :: 120.73(4.2) 2.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 C 0.16 Y 0.16 F 0.15 N 0.14 L 0.09 K 0.02 I 0.01 HN Overlap>> 2.S32 2.S32 C Shift Assignments>> CA :: 55.360 CB :: 39.650 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 :: 9.025 HA :: 4.331 HB2 :: 2.723 HB3 :: 2.647 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 :: 116.390 Ave N Shift Values>> N :: 120.73(4.2) 2.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.27 Q 0.21 E 0.13 K 0.08 C Shift Assignments>> CA :: 54.970 CB :: 31.200 CG :: 34.160 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 :: 8.444 HA :: 4.711 HB2 :: 2.803 HB3 :: 2.107 HG2 :: 2.352 HE21 :: 7.586 HE22 :: 6.656 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 :: 116.896 NE2 :: 111.438 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 C 0.27 G 0.04 K 0.02 C Shift Assignments>> CA :: 55.170 CB :: 42.990 CG :: 28.410 CD1 :: 26.390 CD2 :: 25.290 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 :: 7.190 HA :: 4.303 HB2 :: 1.823 HB3 :: 1.298 HG :: 1.211 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 HD21 :: 0.327 HD22 :: 0.327 HD23 :: 0.327 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 :: 124.290 Ave N Shift Values>> N :: 121.98(4.07) 2.L74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 G 0.33 C 0.21 R 0.02 C Shift Assignments>> CA :: 54.940 CB :: 44.760 CG :: 26.970 CD1 :: 24.810 CD2 :: 23.850 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 :: 8.394 HA :: 4.490 HB2 :: 1.336 HB3 :: 0.995 HG :: 1.137 HD11 :: -0.360(S) HD12 :: -0.360(S) HD13 :: -0.360(S) HD21 :: 0.166 HD22 :: 0.166 HD23 :: 0.166 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 :: 126.080 Ave N Shift Values>> N :: 121.98(4.07) 2.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 F 0.37 Y 0.04 C Shift Assignments>> CA :: 52.700 CB :: 39.270 CD1 :: 130.270 CE1 :: 130.507 CZ :: 126.410 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 :: 8.153 HA :: 5.745 HB2 :: 3.103 HB3 :: 2.943 HD1 :: 7.198 HE1 :: 7.029 HZ :: 7.057 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 :: 119.220 Ave N Shift Values>> N :: 120.69(4.18) 2.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 C 0.17 W 0.12 P 0.1 I 0.07 R 0.07 E 0.06 K 0.04 H 0.04 M 0.03 Q 0.02 C Shift Assignments>> CA :: 60.890 CB :: 31.490 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.555 HA :: 4.830 HB2 :: 3.630 HB3 :: 2.980 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 :: 125.290 Ave N Shift Values>> N :: 119.95(4.79) 2.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.18 Y 0.14 C 0.13 L 0.12 R 0.09 D 0.04 I 0.04 C Shift Assignments>> CA :: 58.200 CB :: 41.650 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 :: 9.693 HA :: 4.845 HB2 :: 2.945 HB3 :: 2.670 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 :: 114.040 Ave N Shift Values>> N :: 120.73(4.2) 2.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.19 L 0.12 R 0.03 F 0.01 C Shift Assignments>> CA :: 56.940 CB :: 45.920 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 :: 9.805 HA :: 4.980 HB2 :: 2.794 HB3 :: 2.560 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 :: 123.200 Ave N Shift Values>> N :: 120.73(4.2) 2.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.14 K 0.14 M 0.11 V 0.11 E 0.08 W 0.05 R 0.03 H 0.02 Y 0.01 I 0.01 HN Overlap>> 2.C7 2.C7 C Shift Assignments>> CA :: 59.010 CB :: 33.980 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.368 HA :: 4.834 HB2 :: 2.928 HB3 :: 2.466 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 :: 117.370 Ave N Shift Values>> N :: 119.95(4.79) 2.D80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.29 L 0.08 R 0.01 C Shift Assignments>> CA :: 57.450 CB :: 46.580(S) 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 :: 8.534 HA :: 5.115 HB2 :: 3.070 HB3 :: 2.250 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 :: 125.880 Ave N Shift Values>> N :: 120.73(4.2) 2.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.46 C Shift Assignments>> CA :: 58.770 CB :: 32.950 CG :: 32.495 CD :: 44.970 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 :: 8.837 HA :: 4.048 HB2 :: 1.764 HB3 :: 1.315 HG2 :: 1.636 HG3 :: 1.033 HD2 :: 2.981 HD3 :: 2.615 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 :: 120.850 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.G82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.17 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.450 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.109 HA2 :: 5.538(S) HA3 :: 2.808 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 123.940 Ave N Shift Values>> N :: 109.91(4.29) 2.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.4 Y 0.19 C Shift Assignments>> CA :: 56.660 CB :: 43.980 CD1 :: 133.480 CE1 :: 119.970 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 :: 9.148 HA :: 5.320 HB2 :: 2.660 HD1 :: 7.202 HE1 :: 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 :: 119.230 Ave N Shift Values>> N :: 120.79(4.69) 2.H84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 H 0.34 W 0.24 C Shift Assignments>> CA :: 59.150 CB :: 30.460 CD2 :: 117.800 CE1 :: 138.880 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.620 HA :: 4.900 HB2 :: 3.270 HB3 :: 1.465(S) HD2 :: 6.631 HE1 :: 7.720 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 :: 123.680 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.37 I 0.02 C Shift Assignments>> CA :: 60.350 CB :: 33.790 CG :: 32.960 CE :: 17.140 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.139 HA :: 3.651 HB2 :: 2.797 HB3 :: 1.971 HG2 :: 2.476 HG3 :: 2.123 HE1 :: 1.921 HE2 :: 1.921 HE3 :: 1.921 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 :: 121.400 Ave N Shift Values>> N :: 120.1(3.88) 2.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 Y 0.38 C Shift Assignments>> CA :: 56.350 CB :: 37.450 CD1 :: 134.400 CE1 :: 118.590 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 :: 6.267 HA :: 4.690 HB2 :: 3.396 HB3 :: 2.909 HD1 :: 7.138 HE1 :: 6.501 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 :: 123.020 Ave N Shift Values>> N :: 120.79(4.69) 2.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.33 V 0.29 I 0.11 C 0.11 W 0.06 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> CA :: 62.600 CB :: 31.171 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.238 HA :: 4.381 HB2 :: 3.268 HB3 :: 2.810 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 :: 122.760 Ave N Shift Values>> N :: 119.95(4.79) 2.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.27 G 0.19 R 0.15 C Shift Assignments>> CA :: 55.600 CB :: 44.050 CG :: 27.210 CD1 :: 27.210 CD2 :: 23.850 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 :: 6.466 HA :: 3.905 HB2 :: 1.728 HB3 :: 1.430 HG :: 1.847 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 119.169 Ave N Shift Values>> N :: 121.98(4.07) 2.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 C 0.19 L 0.09 F 0.02 K 0.02 Y 0.02 C Shift Assignments>> CA :: 49.860 CB :: 41.044 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 :: 8.002 HA :: 4.930 HB2 :: 2.820 HB3 :: 2.578 HD21 :: 7.561 HD22 :: 6.810 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 :: 115.830 ND2 :: 112.002 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 62.730 CB :: 33.440 CG :: 25.530 CD :: 50.620 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.045 HB2 :: 2.418 HB3 :: 2.055 HG2 :: 1.904 HD2 :: 3.562 HD3 :: 3.438 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) 2.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 63.682 CB :: 32.820 CG :: 27.905 CD :: 50.680 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 :: 4.429 HB2 :: 2.288 HB3 :: 1.826 HG2 :: 2.116 HG3 :: 1.987 HD2 :: 3.776 HD3 :: 3.663 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) 2.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 2.Y51 2.Y51 C Shift Assignments>> CA :: 61.400 CB :: 34.170 CG1 :: 22.610 CG2 :: 22.280 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 :: 7.626 HA :: 4.187 HB :: 1.716 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 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 :: 120.100 Ave N Shift Values>> N :: 121.02(4.96) 2.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.34 C 0.05 L 0.04 V 0.01 C Shift Assignments>> CA :: 54.060 CB :: 20.140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.589 HA :: 4.220 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 111.225 Ave N Shift Values>> N :: 123.23(3.7) 2.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.27 E 0.22 Q 0.07 K 0.04 C Shift Assignments>> CA :: 53.440 CB :: 31.170 CG :: 35.600 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 :: 7.324 HA :: 4.691 HB2 :: 1.954 HB3 :: 1.794 HG2 :: 2.123 HG3 :: 2.050 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 :: 114.820 Ave N Shift Values>> N :: 120.68(3.68) 2.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> CA :: 61.480 CB :: 31.230 CG :: 28.330 CD :: 50.930 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 :: 4.233 HB2 :: 1.835 HG2 :: 2.125 HG3 :: 1.854 HD2 :: 3.677 HD3 :: 3.606 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) 2.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 62.930 CB :: 32.480 CG :: 28.020 CD :: 50.940 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 :: 4.410 HB2 :: 2.428 HB3 :: 1.945 HG2 :: 2.064 HG3 :: 2.015 HD2 :: 3.692 HD3 :: 3.132 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) 2.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.13 M 0.05 K 0.03 HN Overlap>> 2.L63 2.L63 C Shift Assignments>> CA :: 58.020 CB :: 30.260 CG :: 37.030 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 :: 8.611 HA :: 4.134 HB2 :: 1.990 HG2 :: 2.322 HG3 :: 2.260 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 :: 121.917 Ave N Shift Values>> N :: 120.68(3.68) 2.G98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.37 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.374 HA2 :: 4.150 HA3 :: 3.925 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 125.870(S) Ave N Shift Values>> N :: 109.91(4.29) 2.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.190 CB :: 64.510 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.229 HA :: 4.587 HB2 :: 3.868 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 :: 115.980 Ave N Shift Values>> N :: 116.3(3.95) 2.W100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 59.620 CB :: 31.820 CD1 :: 125.960 CE3 :: 121.420 CZ2 :: 114.440 CZ3 :: 119.676 CH2 :: 122.880 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 :: 9.492 HA :: 4.654 HB2 :: 3.660 HB3 :: 2.854 HD1 :: 7.290 HE1 :: 9.875 HE3 :: 7.543 HZ2 :: 7.110 HZ3 :: 6.799 HH2 :: 6.332 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 :: 110.540 NE1 :: 112.370(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 2.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> CA :: 55.760 CB :: 65.260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.042 HA :: 5.240 HB2 :: 3.310 HB3 :: 3.170 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 :: 121.470 Ave N Shift Values>> N :: 116.3(3.95) 2.C102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Q 0.16 M 0.14 K 0.14 E 0.14 V 0.03 W 0.03 Y 0.02 H 0.02 R 0.02 I 0.01 C Shift Assignments>> CA :: 57.600 CB :: 34.540 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.208 HA :: 3.651 HB2 :: 2.664 HB3 :: 2.367 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 :: 111.303 Ave N Shift Values>> N :: 119.95(4.79) 2.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.32 C 0.29 C Shift Assignments>> CA :: 59.320 CB :: 29.840 CD2 :: 119.045 CE1 :: 137.740 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 :: 8.091 HA :: 4.164 HB2 :: 3.156 HB3 :: 3.069 HD2 :: 7.043 HE1 :: 7.825 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 :: 115.760 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.33 R 0.09 G 0.02 C Shift Assignments>> CA :: 58.080 CB :: 42.340 CG :: 27.040 CD1 :: 25.230 CD2 :: 23.190 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 :: 6.791 HA :: 4.065 HB2 :: 1.773 HB3 :: 1.383 HG :: 1.297 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.040 Ave N Shift Values>> N :: 121.98(4.07) 2.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 P 0.19 V 0.16 C 0.08 W 0.02 C Shift Assignments>> CA :: 64.840 CB :: 29.120 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.852 HA :: 3.833 HB2 :: 2.684 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 :: 123.897 Ave N Shift Values>> N :: 119.95(4.79) 2.W106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> W 0.63 C 0.34 H 0.01 C Shift Assignments>> CA :: 60.660 CB :: 29.426 CD1 :: 127.180 CE3 :: 120.838 CZ2 :: 114.407 CZ3 :: 121.879 CH2 :: 124.446 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 :: 8.167 HA :: 4.189 HB2 :: 3.161 HD1 :: 7.050 HE1 :: 9.939 HE3 :: 7.468 HZ2 :: 7.432 HZ3 :: 7.088 HH2 :: 7.179 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 :: 121.129 NE1 :: 112.730(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 2.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.18 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> CA :: 58.788 CB :: 29.840 CG :: 36.796 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 :: 7.740 HA :: 3.827 HB2 :: 1.983 HG2 :: 2.253 HG3 :: 2.210 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 :: 117.878 Ave N Shift Values>> N :: 120.68(3.68) 2.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 R 0.13 G 0.02 C Shift Assignments>> CA :: 57.190 CB :: 42.490 CG :: 27.210 CD1 :: 25.530 CD2 :: 24.090 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 :: 7.516 HA :: 4.089 HB2 :: 1.652 HB3 :: 1.535 HG :: 1.590 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 119.100 Ave N Shift Values>> N :: 121.98(4.07) 2.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.31 R 0.11 G 0.01 C Shift Assignments>> CA :: 56.670 CB :: 42.246 CG :: 27.210 CD1 :: 25.290 CD2 :: 23.540 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 :: 7.798 HA :: 4.096 HB2 :: 1.576 HB3 :: 1.445 HG :: 1.558 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 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 :: 119.208 Ave N Shift Values>> N :: 121.98(4.07) 2.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.2 M 0.03 G 0.01 C Shift Assignments>> CA :: 57.843 CB :: 32.427 CG :: 24.812 CD :: 29.366 CE :: 42.310 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 :: 7.642 HA :: 3.968 HB2 :: 1.574 HG2 :: 1.210 HD2 :: 1.432 HE2 :: 2.773 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 :: 119.733 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.09 M 0.07 K 0.05 Q 0.01 C Shift Assignments>> CA :: 57.392 CB :: 30.310 CG :: 36.800 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 :: 7.963 HA :: 4.161 HB2 :: 2.031 HB3 :: 1.927 HG2 :: 2.272 HG3 :: 2.206 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 :: 120.110 Ave N Shift Values>> N :: 120.68(3.68) 2.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.35 R 0.24 M 0.02 G 0.01 C Shift Assignments>> CA :: 56.640 CB :: 33.150 CG :: 25.290 CD :: 29.600 CE :: 42.370 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 :: 7.992 HA :: 4.259 HB2 :: 1.837 HB3 :: 1.753 HG2 :: 1.428 HD2 :: 1.600 HE2 :: 2.920 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 :: 121.270 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.23 C 0.03 L 0.02 C Shift Assignments>> CA :: 52.920 CB :: 19.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.130 HA :: 4.352 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.610 Ave N Shift Values>> N :: 123.23(3.7) 2.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> CA :: 60.823 CB :: 65.343 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.869 HA :: 4.238 HB2 :: 3.838 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 :: 120.910 Ave N Shift Values>> N :: 116.3(3.95) 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 12 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 20 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 1 C Shift Results: #Consistent: 363 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 797 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 1 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 Error Summary: 2.G10 N = 124.810(S), Expected = 109.91, Std = 4.2900, ChiSquare = 5.1430e-04 2.N14 HB3 = 1.353(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.7040e-05 2.S32 HA = 5.960(S), Expected = 4.51, Std = 0.4300, ChiSquare = 7.4599e-04 2.G33 HA2 = 5.317(S), Expected = 3.95, Std = 0.4000, ChiSquare = 6.3199e-04 2.W53 NE1 = 115.600(S), Expected = 129.48, Std = 2.5600, ChiSquare = 5.8977e-08 2.K59 HE2 = 1.721(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.4941e-09 2.K59 HE3 = 1.311(A), Expected = 2.93, Std = 0.2000, ChiSquare = 5.7264e-16 2.K59 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 2.L74 HD11 = -0.360(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8493e-05 2.L74 HD12 = -0.360(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8493e-05 2.L74 HD13 = -0.360(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8493e-05 2.D80 CB = 46.580(S), Expected = 40.70, Std = 1.6700, ChiSquare = 4.2999e-04 2.G82 HA2 = 5.538(S), Expected = 3.95, Std = 0.4000, ChiSquare = 7.1873e-05 2.H84 HB3 = 1.465(S), Expected = 3.11, Std = 0.4500, ChiSquare = 2.5663e-04 2.G98 N = 125.870(S), Expected = 109.91, Std = 4.2900, ChiSquare = 1.9900e-04 2.W100 NE1 = 112.370(S), Expected = 129.48, Std = 2.5600, ChiSquare = 2.3315e-11 2.W106 NE1 = 112.730(S), Expected = 129.48, Std = 2.5600, ChiSquare = 6.0309e-11