Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.437 CB :: 63.927 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.492 HB2 :: 3.883 HB3 :: 3.845 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.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.391 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.452 HA2 :: 3.924 HA3 :: 3.924 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.398 Ave N Shift Values>> N :: 109.91(4.29) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.17 C 0.16 Y 0.06 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 175.277 CA :: 52.778 CB :: 38.638 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 :: 8.251 HA :: 4.639 HB2 :: 2.869 HB3 :: 2.774 HD21 :: 7.629 HD22 :: 6.963 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 :: 119.087 ND2 :: 112.295 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.11 K 0.08 C Shift Assignments>> C :: 176.366 CA :: 57.872 CB :: 30.623 CG :: 27.903 CD :: 43.766 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 :: 8.419 HA :: 3.929 HB2 :: 1.829 HB3 :: 1.688 HG2 :: 1.551 HG3 :: 1.145 HD2 :: 3.199 HD3 :: 3.013 HE :: 6.936 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 :: 120.338 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.28 C 0.02 C Shift Assignments>> C :: 177.707 CA :: 53.361 CB :: 18.983 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.948 HA :: 4.260 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.309 Ave N Shift Values>> N :: 123.23(3.7) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.17 C 0.15 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> CA :: 51.990 CB :: 38.811 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 :: 8.045 HA :: 4.965 HB2 :: 2.773 HB3 :: 2.634 HD21 :: 7.669 HD22 :: 6.887 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 :: 115.134 ND2 :: 112.975 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.478 CA :: 63.012 CB :: 32.981 CG :: 28.487 CD :: 50.513 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 :: 4.445 HB2 :: 2.110 HB3 :: 1.852 HG2 :: 2.246 HG3 :: 2.246 HD2 :: 3.833 HD3 :: 3.631 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.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.31 C 0.12 L 0.1 F 0.05 Y 0.05 K 0.02 C Shift Assignments>> CA :: 52.528 CB :: 40.248 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 :: 8.334 HA :: 4.675 HB2 :: 2.541 HB3 :: 2.354 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 :: 121.601 Ave N Shift Values>> N :: 120.73(4.2) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.09 R 0.03 K 0.02 C Shift Assignments>> CB :: 32.099 CG :: 27.484 CD :: 50.355 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>> HB2 :: 1.366 HB3 :: 1.308 HG2 :: 1.907 HG3 :: 1.655 HD2 :: 3.812 HD3 :: 3.416 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.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.14 C 0.11 K 0.05 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 171.925 CA :: 52.497 CB :: 40.873 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.478 HA :: 4.588 HB2 :: 3.082 HB3 :: 2.815 HD21 :: 7.610 HD22 :: 6.870 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.898 ND2 :: 112.393 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.29 C 0.11 R 0.04 K 0.02 E 0.02 Q 0.01 H 0.01 V 0.01 C Shift Assignments>> C :: 172.162 CA :: 62.010 CB :: 27.691 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.489 HA :: 4.105 HB2 :: 3.346 HB3 :: 3.155 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 :: 115.351 Ave N Shift Values>> N :: 119.95(4.79) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 E 0.16 H 0.15 K 0.14 R 0.13 C 0.13 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 173.028 CA :: 57.112 CB :: 29.512 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.287 HA :: 5.017 HB2 :: 2.885 HB3 :: 2.455 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 :: 120.838 Ave N Shift Values>> N :: 119.95(4.79) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.19 G 0.13 R 0.07 A 0.01 HN Overlap>> 1.L82 1.L82 C Shift Assignments>> C :: 176.674 CA :: 52.786 CB :: 43.294 CG :: 26.664 CD1 :: 26.685 CD2 :: 24.310 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 :: 9.331 HA :: 4.909 HB2 :: 1.309 HB3 :: 1.052 HG :: 1.727 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.619 HD22 :: 0.619 HD23 :: 0.619 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.228 Ave N Shift Values>> N :: 121.98(4.07) 1.G19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 170.402 CA :: 44.998 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.030 HA2 :: 3.569 HA3 :: 2.136(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.964 Ave N Shift Values>> N :: 109.91(4.29) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 173.112 CA :: 60.621 CB :: 32.580 CG1 :: 23.014 CG2 :: 20.779 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 :: 7.778 HA :: 4.040 HB :: 1.239 HG11 :: 0.665 HG12 :: 0.665 HG13 :: 0.665 HG21 :: 0.205 HG22 :: 0.205 HG23 :: 0.205 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 :: 123.963 Ave N Shift Values>> N :: 121.02(4.96) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.35 C 0.27 C Shift Assignments>> C :: 175.724 CA :: 55.484 CB :: 41.559 CD1 :: 131.262 CD2 :: 131.262 CE1 :: 128.697 CE2 :: 128.697 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.192 HA :: 4.499 HB2 :: 2.291 HB3 :: 1.859 HD1 :: 6.040 HD2 :: 6.040 HE1 :: 5.879 HE2 :: 5.879 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.822 Ave N Shift Values>> N :: 120.69(4.18) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 175.836 CA :: 45.380 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.925 HA2 :: 4.018 HA3 :: 3.803 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.461 Ave N Shift Values>> N :: 109.91(4.29) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.21 G 0.11 R 0.07 A 0.01 C Shift Assignments>> C :: 179.076 CA :: 54.013 CB :: 43.373 CG :: 26.498 CD1 :: 26.373 CD2 :: 24.075 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 :: 7.566 HA :: 4.140 HB2 :: 1.298 HB3 :: 1.053 HG :: 1.172 HD11 :: 0.273 HD12 :: 0.273 HD13 :: 0.273 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.324 Ave N Shift Values>> N :: 121.98(4.07) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.632 CA :: 57.494 CB :: 63.529 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.296 HA :: 4.297 HB2 :: 4.130 HB3 :: 4.130 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 :: 114.727 Ave N Shift Values>> N :: 116.3(3.95) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.33 A 0.1 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> C :: 176.436 CA :: 56.529 CB :: 39.672 CG :: 26.825 CD1 :: 24.880 CD2 :: 21.153 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 :: 9.032 HA :: 3.824 HB2 :: 1.257 HB3 :: 1.257 HG :: 1.639 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.600 HD22 :: 0.600 HD23 :: 0.600 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 :: 125.520 Ave N Shift Values>> N :: 121.98(4.07) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 176.073 CA :: 57.184 CB :: 38.498 CD1 :: 133.003 CD2 :: 133.003 CE1 :: 118.121 CE2 :: 118.121 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 :: 7.865 HA :: 4.512 HB2 :: 3.249 HB3 :: 2.685 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 6.808 HE2 :: 6.808 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.227 Ave N Shift Values>> N :: 120.79(4.69) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.05 C Shift Assignments>> C :: 174.676 CA :: 64.637 CB :: 69.225 CG2 :: 23.248 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 :: 7.047 HA :: 4.300 HB :: 3.781 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 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 :: 119.897 Ave N Shift Values>> N :: 115.7(5.05) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.31 C Shift Assignments>> C :: 175.347 CA :: 60.435 CB :: 72.794 CG2 :: 21.691 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 :: 9.224 HA :: 4.528 HB :: 4.690 HG21 :: 1.353 HG22 :: 1.353 HG23 :: 1.353 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 :: 119.989 Ave N Shift Values>> N :: 115.7(5.05) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.3 E 0.16 K 0.01 C Shift Assignments>> C :: 178.392 CA :: 60.897 CB :: 28.623 CG :: 37.248 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 :: 9.465 HA :: 3.611 HB2 :: 2.159 HB3 :: 1.905 HG2 :: 2.413 HG3 :: 2.227 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 :: 121.212 Ave N Shift Values>> N :: 120.68(3.68) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.1 G 0.07 L 0.02 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> C :: 178.420 CA :: 59.387 CB :: 29.748 CG :: 26.705 CD :: 43.294 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 :: 8.246 HA :: 3.924 HB2 :: 1.904 HB3 :: 1.705 HG2 :: 1.695 HG3 :: 1.582 HD2 :: 3.173 HD3 :: 3.128 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 :: 119.414 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.16 Y 0.16 C 0.14 L 0.13 D 0.1 R 0.03 I 0.03 N 0.01 HN Overlap>> 1.R85 1.R85 C Shift Assignments>> C :: 178.880 CA :: 57.261 CB :: 40.981 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 :: 7.516 HA :: 4.335 HB2 :: 3.069 HB3 :: 2.612 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 :: 119.664 Ave N Shift Values>> N :: 120.73(4.2) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 R 0.12 G 0.03 C Shift Assignments>> C :: 178.950 CA :: 57.497 CB :: 42.700 CG :: 26.623 CD1 :: 26.294 CD2 :: 23.637 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 :: 7.687 HA :: 4.047 HB2 :: 1.878 HB3 :: 1.153 HG :: 1.545 HD11 :: 0.397 HD12 :: 0.397 HD13 :: 0.397 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 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 :: 117.787 Ave N Shift Values>> N :: 121.98(4.07) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.31 K 0.12 G 0.09 C Shift Assignments>> C :: 178.601 CA :: 60.637 CB :: 30.123 CG :: 29.606 CD :: 43.014 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 :: 8.766 HA :: 3.703 HB2 :: 1.909 HB3 :: 1.909 HG2 :: 1.525 HG3 :: 1.463 HD2 :: 3.258 HD3 :: 3.061 HE :: 7.924 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 :: 120.179 NE :: 116.458 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.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.2 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.671 CA :: 59.576 CB :: 29.263 CG :: 36.123 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 :: 8.125 HA :: 3.941 HB2 :: 2.145 HB3 :: 2.115 HG2 :: 2.333 HG3 :: 2.254 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.477 Ave N Shift Values>> N :: 120.68(3.68) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.252 CA :: 65.536 CB :: 32.708 CG1 :: 22.489 CG2 :: 20.997 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 :: 7.474 HA :: 3.702 HB :: 1.958 HG11 :: 1.019 HG12 :: 1.019 HG13 :: 1.019 HG21 :: 0.424 HG22 :: 0.424 HG23 :: 0.424 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 :: 116.227 Ave N Shift Values>> N :: 121.02(4.96) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.22 C Shift Assignments>> C :: 177.386 CA :: 62.942 CB :: 38.570 CD1 :: 131.019 CD2 :: 131.019 CE1 :: 130.394 CE2 :: 130.394 CZ :: 129.378 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 :: 8.469 HA :: 4.473 HB2 :: 3.313 HB3 :: 2.769 HD1 :: 7.574 HD2 :: 7.574 HE1 :: 6.878 HE2 :: 6.878 HZ :: 6.844 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 :: 114.853 Ave N Shift Values>> N :: 120.69(4.18) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.542 CA :: 60.980 CB :: 62.865 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.426 HA :: 4.763 HB2 :: 4.060 HB3 :: 3.988 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 :: 115.164 Ave N Shift Values>> N :: 116.3(3.95) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.34 R 0.26 M 0.03 C Shift Assignments>> C :: 177.456 CA :: 57.698 CB :: 31.445 CG :: 23.756 CD :: 28.517 CE :: 41.854 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 :: 6.939 HA :: 3.930 HB2 :: 1.298 HB3 :: 1.298 HG2 :: 1.051 HG3 :: 0.943 HD2 :: 1.442 HD3 :: 1.442 HE2 :: 2.828 HE3 :: 2.828 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 :: 119.337 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y39 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>> C :: 174.592 CA :: 59.003 CB :: 38.585 CD1 :: 132.925 CD2 :: 132.925 CE1 :: 117.946 CE2 :: 117.946 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 :: 7.632 HA :: 4.401 HB2 :: 3.311 HB3 :: 2.986 HD1 :: 7.376 HD2 :: 7.376 HE1 :: 6.449 HE2 :: 6.449 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.275 Ave N Shift Values>> N :: 120.79(4.69) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.18 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.718 CA :: 44.616 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.338 HA2 :: 4.894 HA3 :: 3.874 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.506 Ave N Shift Values>> N :: 109.91(4.29) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.386 CA :: 63.182 CB :: 32.163 CG :: 27.989 CD :: 49.495 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 :: 4.420 HB2 :: 2.230 HB3 :: 1.866 HG2 :: 2.189 HG3 :: 2.022 HD2 :: 3.894 HD3 :: 3.559 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.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 A 0.01 C Shift Assignments>> C :: 176.227 CA :: 58.990 CB :: 39.614 CG1 :: 27.114 CG2 :: 18.254 CD1 :: 12.398 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 :: 8.556 HA :: 4.052 HB :: 1.641 HG12 :: 1.320 HG13 :: 0.715 HG21 :: 0.452 HG22 :: 0.452 HG23 :: 0.452 HD11 :: 0.156 HD12 :: 0.156 HD13 :: 0.156 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 :: 124.210 Ave N Shift Values>> N :: 121.6(4.72) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.26 C 0.03 L 0.02 C Shift Assignments>> C :: 177.316 CA :: 53.260 CB :: 19.756 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.184 HA :: 4.390 HB1 :: 1.207 HB2 :: 1.207 HB3 :: 1.207 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.335 Ave N Shift Values>> N :: 123.23(3.7) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 G 0.17 C 0.12 D 0.08 F 0.02 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.671 CA :: 54.246 CB :: 43.912 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 :: 7.605 HA :: 4.662 HB2 :: 2.514 HB3 :: 2.103 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 :: 114.712 Ave N Shift Values>> N :: 120.73(4.2) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 C Shift Assignments>> C :: 173.922 CA :: 61.893 CB :: 35.396 CG1 :: 22.555 CG2 :: 22.112 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 :: 8.203 HA :: 4.689 HB :: 1.870 HG11 :: 0.804 HG12 :: 0.804 HG13 :: 0.804 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 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 :: 121.085 Ave N Shift Values>> N :: 121.02(4.96) 1.S46 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>> C :: 174.076 CA :: 56.633 CB :: 65.377 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.172 HA :: 4.979 HB2 :: 3.956 HB3 :: 3.786 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 :: 121.554 Ave N Shift Values>> N :: 116.3(3.95) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.34 M 0.01 C Shift Assignments>> C :: 174.355 CA :: 61.005 CB :: 37.892 CG1 :: 29.644 CG2 :: 16.260 CD1 :: 12.662 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 :: 8.919 HA :: 3.653 HB :: 1.513 HG12 :: 1.275 HG13 :: 0.665 HG21 :: 0.086 HG22 :: 0.086 HG23 :: 0.086 HD11 :: 0.480 HD12 :: 0.480 HD13 :: 0.480 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 :: 127.992 Ave N Shift Values>> N :: 121.6(4.72) 1.V48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 173.796 CA :: 62.932 CB :: 30.300 CG1 :: 22.508 CG2 :: 21.826 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 :: 7.525 HA :: 3.779 HB :: 0.560(S) HG11 :: 0.668 HG12 :: 0.668 HG13 :: 0.668 HG21 :: 0.565 HG22 :: 0.565 HG23 :: 0.565 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.005 Ave N Shift Values>> N :: 121.02(4.96) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.380 CA :: 57.200 CB :: 40.903 CD1 :: 133.315 CD2 :: 133.315 CE1 :: 117.643 CE2 :: 117.643 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 :: 8.483 HA :: 4.700 HB2 :: 2.551 HB3 :: 2.482 HD1 :: 6.835 HD2 :: 6.835 HE1 :: 6.694 HE2 :: 6.694 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 :: 125.572 Ave N Shift Values>> N :: 120.79(4.69) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.18 R 0.16 K 0.12 C 0.1 F 0.04 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 177.302 CA :: 54.075 CB :: 42.604 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 :: 8.965 HA :: 4.526 HB2 :: 3.052 HB3 :: 2.500 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 :: 123.448 Ave N Shift Values>> N :: 120.73(4.2) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.13 R 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 176.785 CA :: 58.448 CB :: 28.669 CG :: 33.996 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 :: 9.158 HA :: 3.984 HB2 :: 2.153 HB3 :: 2.100 HG2 :: 2.482 HG3 :: 2.482 HE21 :: 7.599 HE22 :: 6.999 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 :: 126.273 NE2 :: 112.978 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.22 E 0.16 M 0.03 R 0.03 I 0.02 HN Overlap>> 1.G79 1.G79 C Shift Assignments>> C :: 177.135 CA :: 57.855 CB :: 29.021 CG :: 34.265 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 :: 8.533 HA :: 4.287 HB2 :: 2.162 HB3 :: 2.162 HG2 :: 2.401 HG3 :: 2.362 HE21 :: 7.675 HE22 :: 6.923 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 :: 116.963 NE2 :: 112.727 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.165 CA :: 58.828 CB :: 64.761 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.526 HA :: 4.349 HB2 :: 3.951 HB3 :: 3.828 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 :: 113.970 Ave N Shift Values>> N :: 116.3(3.95) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.27 K 0.18 R 0.1 G 0.02 C Shift Assignments>> C :: 174.802 CA :: 57.167 CB :: 26.529 CG :: 26.761 CD :: 42.574 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 :: 8.070 HA :: 3.922 HB2 :: 2.083 HB3 :: 1.945 HG2 :: 1.535 HG3 :: 1.433 HD2 :: 3.091 HD3 :: 3.036 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 :: 116.277 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.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.14 G 0.08 C Shift Assignments>> C :: 176.073 CA :: 55.184 CB :: 32.029 CG :: 27.248 CD :: 43.421 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 :: 7.823 HA :: 4.496 HB2 :: 1.844 HB3 :: 1.655 HG2 :: 1.656 HG3 :: 1.656 HD2 :: 3.165 HD3 :: 3.165 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 :: 118.303 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.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.500 CA :: 58.075 CB :: 64.027 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.850 HA :: 3.862 HB2 :: 3.808 HB3 :: 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) N Shift Assignments>> N :: 116.978 Ave N Shift Values>> N :: 116.3(3.95) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.12 G 0.08 C Shift Assignments>> C :: 178.294 CA :: 56.590 CB :: 30.449 CG :: 28.108 CD :: 43.497 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 :: 9.169 HA :: 4.286 HB2 :: 2.221 HB3 :: 1.033 HG2 :: 1.626 HG3 :: 1.626 HD2 :: 3.331 HD3 :: 2.948 HE :: 7.533 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 :: 122.477 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 171.631 CA :: 46.404 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.274 HA2 :: 3.812 HA3 :: 2.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.367 Ave N Shift Values>> N :: 109.91(4.29) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 171.631 CA :: 55.201 CB :: 41.120 CD1 :: 132.909 CD2 :: 132.909 CE1 :: 130.315 CE2 :: 130.315 CZ :: 128.628 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 :: 6.882 HA :: 4.904 HB2 :: 3.410 HB3 :: 2.203 HD1 :: 6.525 HD2 :: 6.525 HE1 :: 7.112 HE2 :: 7.112 HZ :: 7.216 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 :: 111.370 Ave N Shift Values>> N :: 120.69(4.18) 1.A60 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.89 C 0.04 L 0.02 R 0.01 HN Overlap>> 1.R30 1.R30 C Shift Assignments>> C :: 172.385 CA :: 49.590 CB :: 26.512(A) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.221 HA :: 4.453 HB1 :: 0.640 HB2 :: 0.640 HB3 :: 0.640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.348 Ave N Shift Values>> N :: 123.23(3.7) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 C 0.41 G 0.09 C Shift Assignments>> C :: 174.606 CA :: 56.603 CB :: 42.945 CD1 :: 130.585 CD2 :: 130.585 CE1 :: 128.878 CE2 :: 128.878 CZ :: 127.744 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 :: 8.173 HA :: 4.993 HB2 :: 2.190 HB3 :: 2.060 HD1 :: 6.246 HD2 :: 6.246 HE1 :: 6.245 HE2 :: 6.245 HZ :: 6.643 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 :: 114.103 Ave N Shift Values>> N :: 120.69(4.18) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 173.447 CA :: 61.064 CB :: 34.310 CG1 :: 21.512 CG2 :: 20.381 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 :: 8.990 HA :: 4.185 HB :: 1.277 HG11 :: 0.200 HG12 :: 0.200 HG13 :: 0.200 HG21 :: 0.133 HG22 :: 0.133 HG23 :: 0.133 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 :: 123.321 Ave N Shift Values>> N :: 121.02(4.96) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 175.696 CA :: 57.243 CB :: 38.874 CD1 :: 133.190 CD2 :: 133.190 CE1 :: 119.231 CE2 :: 119.231 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 :: 8.992 HA :: 4.824 HB2 :: 2.939 HB3 :: 2.847 HD1 :: 7.040 HD2 :: 7.040 HE1 :: 6.804 HE2 :: 6.804 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 :: 125.423 Ave N Shift Values>> N :: 120.79(4.69) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 176.045 CA :: 59.136 CB :: 39.896 CD1 :: 131.565 CD2 :: 131.565 CE1 :: 131.284 CE2 :: 131.284 CZ :: 129.267 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.161 HA :: 4.619 HB2 :: 3.764 HB3 :: 3.025 HD1 :: 7.349 HD2 :: 7.349 HE1 :: 7.129 HE2 :: 7.129 HZ :: 7.467 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 :: 124.480 Ave N Shift Values>> N :: 120.69(4.18) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.17 M 0.05 K 0.04 Q 0.01 C Shift Assignments>> C :: 176.953 CA :: 59.122 CB :: 30.300 CG :: 36.630 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 :: 8.044 HA :: 4.218 HB2 :: 2.130 HB3 :: 1.981 HG2 :: 2.158 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 :: 118.244 Ave N Shift Values>> N :: 120.68(3.68) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.14 C 0.12 K 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 175.850 CA :: 51.907 CB :: 41.137 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 :: 9.087 HA :: 5.103 HB2 :: 2.951 HB3 :: 2.761 HD21 :: 7.656 HD22 :: 7.289 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 :: 115.884 ND2 :: 114.899 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.947 CA :: 65.436 CB :: 31.594 CG1 :: 22.136 CG2 :: 19.731 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 :: 8.995 HA :: 3.646 HB :: 2.076 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 126.230 Ave N Shift Values>> N :: 121.02(4.96) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.19 I 0.08 D 0.06 L 0.06 K 0.02 N 0.01 E 0.01 C Shift Assignments>> C :: 178.908 CA :: 57.776 CB :: 39.755 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 :: 8.437 HA :: 4.341 HB2 :: 2.660 HB3 :: 2.583 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 :: 121.522 Ave N Shift Values>> N :: 120.73(4.2) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.17 D 0.14 L 0.1 N 0.05 K 0.04 I 0.03 C Shift Assignments>> C :: 176.506 CA :: 56.549 CB :: 40.005 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 :: 7.354 HA :: 4.362 HB2 :: 2.924 HB3 :: 2.575 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 :: 122.225 Ave N Shift Values>> N :: 120.73(4.2) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 179.272 CA :: 54.668 CB :: 19.013 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.925 HA :: 2.938 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.684 Ave N Shift Values>> N :: 123.23(3.7) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.36 R 0.2 M 0.01 C Shift Assignments>> C :: 178.727 CA :: 60.371 CB :: 32.762 CG :: 25.712 CD :: 29.979 CE :: 41.814 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 :: 8.356 HA :: 4.032 HB2 :: 2.037 HB3 :: 1.969 HG2 :: 1.798 HG3 :: 1.542 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.906 HE3 :: 2.906 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 :: 116.088 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.15 Q 0.13 I 0.08 M 0.03 R 0.01 C Shift Assignments>> C :: 177.721 CA :: 58.784 CB :: 29.301 CG :: 35.277 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 :: 7.291 HA :: 4.058 HB2 :: 2.158 HB3 :: 2.094 HG2 :: 2.514 HG3 :: 2.263 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 :: 120.148 Ave N Shift Values>> N :: 120.68(3.68) 1.A73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.4 M 0.35 L 0.12 C 0.07 V 0.02 T 0.01 C Shift Assignments>> C :: 178.727 CA :: 54.386 CB :: 20.811 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.031 HA :: 2.321(S) HB1 :: 1.078 HB2 :: 1.078 HB3 :: 1.078 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.744 Ave N Shift Values>> N :: 123.23(3.7) 1.K74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.18 M 0.03 G 0.02 C Shift Assignments>> C :: 177.973 CA :: 60.074 CB :: 31.704 CG :: 24.190 CD :: 29.873 CE :: 42.496 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 :: 8.216 HA :: 3.423 HB2 :: 1.530 HB3 :: 1.470 HG2 :: 0.817 HG3 :: 0.311(S) HD2 :: 1.101 HD3 :: 1.101 HE2 :: 2.865 HE3 :: 2.865 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 :: 117.508 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.1 I 0.09 Q 0.07 M 0.06 C Shift Assignments>> C :: 179.104 CA :: 58.386 CB :: 29.872 CG :: 35.856 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 :: 7.311 HA :: 3.997 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.358 HG3 :: 2.327 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 :: 114.962 Ave N Shift Values>> N :: 120.68(3.68) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 K 0.14 G 0.06 C Shift Assignments>> C :: 177.931 CA :: 57.379 CB :: 31.341 CG :: 27.121 CD :: 43.294 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 :: 8.244 HA :: 4.216 HB2 :: 1.954 HB3 :: 1.614 HG2 :: 1.802 HG3 :: 1.802 HD2 :: 3.202 HD3 :: 3.202 HE :: 7.589 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 :: 115.548 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.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.2 C 0.03 L 0.02 C Shift Assignments>> C :: 177.512 CA :: 52.622 CB :: 19.904 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.843 HA :: 4.284 HB1 :: 1.170 HB2 :: 1.170 HB3 :: 1.170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.618 Ave N Shift Values>> N :: 123.23(3.7) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.21 F 0.18 D 0.11 N 0.11 L 0.04 E 0.04 I 0.04 C Shift Assignments>> C :: 176.227 CA :: 56.043 CB :: 38.800 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 :: 6.610 HA :: 4.198 HB2 :: 3.146 HB3 :: 2.807 HD21 :: 7.868 HD22 :: 7.035 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 :: 113.465 ND2 :: 114.199 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 HN Overlap>> 1.Q52 1.Q52 C Shift Assignments>> C :: 173.782 CA :: 45.645 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.585 HA2 :: 4.211 HA3 :: 3.740 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.976 Ave N Shift Values>> N :: 109.91(4.29) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.43 A 0.08 C Shift Assignments>> C :: 173.587 CA :: 56.160 CB :: 33.131 CG :: 31.497 CE :: 16.731 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 :: 7.809 HA :: 4.220 HB2 :: 2.196 HB3 :: 1.867 HG2 :: 2.696 HG3 :: 2.190 HE1 :: 1.963 HE2 :: 1.963 HE3 :: 1.963 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.571 Ave N Shift Values>> N :: 120.1(3.88) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 M 0.12 K 0.03 I 0.03 Q 0.01 C Shift Assignments>> C :: 175.542 CA :: 55.270 CB :: 30.669 CG :: 36.998 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 :: 8.436 HA :: 4.862 HB2 :: 1.859 HB3 :: 1.719 HG2 :: 1.958 HG3 :: 1.866 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 :: 121.973 Ave N Shift Values>> N :: 120.68(3.68) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.32 C 0.22 R 0.07 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 176.380 CA :: 54.564 CB :: 44.871 CG :: 27.685 CD1 :: 26.255 CD2 :: 24.231 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 :: 9.242 HA :: 4.517 HB2 :: 1.723 HB3 :: 1.143 HG :: 1.401 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 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 :: 128.228 Ave N Shift Values>> N :: 121.98(4.07) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.16 Y 0.15 C 0.15 L 0.11 N 0.11 K 0.04 I 0.01 C Shift Assignments>> C :: 175.710 CA :: 55.527 CB :: 39.996 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 :: 9.710 HA :: 4.263 HB2 :: 2.960 HB3 :: 2.362 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 :: 130.087 Ave N Shift Values>> N :: 120.73(4.2) 1.G84 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 :: 173.936 CA :: 45.465 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.727 HA2 :: 4.060 HA3 :: 3.632 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.088 Ave N Shift Values>> N :: 109.91(4.29) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.32 K 0.28 G 0.03 HN Overlap>> 1.D31 1.D31 C Shift Assignments>> C :: 174.313 CA :: 52.885 CB :: 32.256 CG :: 26.373 CD :: 42.380 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 :: 7.562 HA :: 4.640 HB2 :: 1.728 HB3 :: 2.029 HG2 :: 1.654 HG3 :: 1.531 HD2 :: 3.176 HD3 :: 3.176 HE :: 7.067 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 :: 119.743 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.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.29 L 0.1 K 0.09 G 0.06 C Shift Assignments>> C :: 176.674 CA :: 54.822 CB :: 29.136 CG :: 27.256 CD :: 43.195 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 :: 8.550 HA :: 4.647 HB2 :: 1.748 HB3 :: 1.528 HG2 :: 1.654 HG3 :: 1.411 HD2 :: 3.119 HD3 :: 3.119 HE :: 7.307 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 :: 121.165 NE :: 84.587 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.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.942 CA :: 61.418 CB :: 39.021 CG1 :: 25.248 CG2 :: 18.997 CD1 :: 13.637 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 :: 8.558 HA :: 4.500 HB :: 1.818 HG12 :: 1.446 HG13 :: 1.283 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 HD11 :: 0.668 HD12 :: 0.668 HD13 :: 0.668 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 :: 123.886 Ave N Shift Values>> N :: 121.6(4.72) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.28 G 0.01 C Shift Assignments>> C :: 174.830 CA :: 54.520 CB :: 32.618 CG :: 27.623 CD :: 42.249 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 :: 8.480 HA :: 5.076 HB2 :: 1.723 HB3 :: 1.568 HG2 :: 1.587 HG3 :: 1.486 HD2 :: 3.499 HD3 :: 3.239 HE :: 7.047 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 :: 121.353 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.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.14 C Shift Assignments>> C :: 174.355 CA :: 59.809 CB :: 35.012 CG1 :: 24.639 CG2 :: 22.012 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 :: 8.423 HA :: 5.129 HB :: 1.756 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 120.648 Ave N Shift Values>> N :: 121.02(4.96) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.05 C 0.05 R 0.01 D 0.01 C Shift Assignments>> C :: 174.872 CA :: 51.588 CB :: 45.116 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 :: 9.154 HA :: 4.623 HB2 :: 2.661 HB3 :: 2.518 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 :: 125.773 Ave N Shift Values>> N :: 120.73(4.2) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 174.983 CA :: 59.067 CB :: 39.965 CD1 :: 132.343 CD2 :: 132.343 CE1 :: 131.753 CE2 :: 131.753 CZ :: 130.315 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 :: 8.924 HA :: 4.697 HB2 :: 3.213 HB3 :: 2.541 HD1 :: 7.419 HD2 :: 7.419 HE1 :: 7.367 HE2 :: 7.367 HZ :: 7.426 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 :: 119.307 Ave N Shift Values>> N :: 120.69(4.18) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.196 CA :: 56.808 CB :: 65.129 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.966 HA :: 5.656 HB2 :: 3.974 HB3 :: 3.910 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 :: 112.808 Ave N Shift Values>> N :: 116.3(3.95) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.003 CA :: 61.762 CB :: 38.272 CG1 :: 26.199 CG2 :: 18.638 CD1 :: 14.263 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 :: 9.974 HA :: 4.523 HB :: 1.932 HG12 :: 0.881 HG13 :: 0.024 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 HD11 :: 0.306 HD12 :: 0.306 HD13 :: 0.306 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 :: 122.589 Ave N Shift Values>> N :: 121.6(4.72) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 T 0.43 C Shift Assignments>> C :: 175.263 CA :: 59.932 CB :: 71.325 CG2 :: 23.903 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 :: 8.676 HA :: 4.648 HB :: 4.316 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 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 :: 113.946 Ave N Shift Values>> N :: 115.7(5.05) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 175.137 CA :: 55.585 CB :: 34.232 CG :: 24.935 CD :: 29.200 CE :: 42.090 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 :: 8.627 HA :: 4.480 HB2 :: 1.872 HB3 :: 1.673 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.571 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.31 K 0.1 G 0.08 L 0.02 C Shift Assignments>> CA :: 53.871 CB :: 30.425 CG :: 26.403 CD :: 43.213 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 :: 8.203 HA :: 4.282 HB2 :: 1.597 HB3 :: 1.513 HG2 :: 1.278 HG3 :: 1.278 HD2 :: 2.950 HD3 :: 2.880 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 :: 121.821 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.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> CA :: 62.761 CB :: 32.056 CG :: 26.931 CD :: 50.277 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 :: 4.199 HB2 :: 2.072 HB3 :: 1.705 HG2 :: 1.734 HG3 :: 1.646 HD2 :: 3.205 HD3 :: 3.205 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.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.55 C 0.44 C Shift Assignments>> CA :: 56.136 CB :: 30.387 CD2 :: 119.769 CE1 :: 137.956 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 :: 8.154 HA :: 4.544 HB2 :: 3.027 HB3 :: 3.027 HD2 :: 6.955 HE1 :: 7.883 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.496 CB :: 69.902 CG2 :: 21.373 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 :: 8.422 HA :: 4.307 HB :: 4.159 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 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) 2.G1 Overall Status: Residue type G not supported. 2.A2 Overall Status: Residue type A not supported. 2.A3 Overall Status: Residue type A not supported. 2.G4 Overall Status: Residue type G not supported. 2.A5 Overall Status: Residue type A not supported. 2.A6 Overall Status: Residue type A not supported. ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 93 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 408 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 644 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 96 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G19 HA3 = 2.136(S), Expected = 3.93, Std = 0.4000, ChiSquare = 7.2914e-06 1.V48 HB = 0.560(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.4687e-05 1.A60 Typing: Mistyped 1.A60 CB = 26.512(A), Expected = 18.90, Std = 1.8500, ChiSquare = 3.8786e-05 1.A73 HA = 2.321(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.8995e-06 1.K74 HG3 = 0.311(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.6049e-04