Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 170.185 CA :: 43.123 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.910 HA3 :: 3.910 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.290 CA :: 58.045 CB :: 63.736 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.565 HB2 :: 3.897 HB3 :: 3.864 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.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.23 C 0.23 HN Overlap>> 1.I125 1.I125 C Shift Assignments>> C :: 176.780 CA :: 54.599 CB :: 40.834 CG :: 177.807 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 :: 8.550 HA :: 4.579 HB2 :: 2.686 HB3 :: 2.634 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 :: 122.491 Ave N Shift Values>> N :: 120.73(4.2) 1.G4 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 C Shift Assignments>> C :: 173.864 CA :: 45.579 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.315 HA2 :: 3.874 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 :: 108.844 Ave N Shift Values>> N :: 109.91(4.29) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.65 C 0.3 N 0.03 HN Overlap>> 1.L190 1.E224 1.L190 1.E224 C Shift Assignments>> C :: 175.715 CA :: 54.412 CB :: 40.961 CG :: 179.932 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 :: 8.009 HA :: 4.536 HB2 :: 2.632 HB3 :: 2.632 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 :: 119.935 Ave N Shift Values>> N :: 120.73(4.2) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 177.536 CA :: 51.918 CB :: 19.185 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.839 HA :: 4.309 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.035 Ave N Shift Values>> N :: 123.23(3.7) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.06 G 0.04 C Shift Assignments>> C :: 174.572 CA :: 57.225 CB :: 42.878 CG :: 26.911 CD1 :: 24.416 CD2 :: 23.903 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 :: 8.329 HA :: 3.986 HB2 :: 1.512 HB3 :: 1.641 HG :: 1.718 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.551 Ave N Shift Values>> N :: 121.98(4.07) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.4 C 0.16 R 0.01 C Shift Assignments>> C :: 174.500 CA :: 53.400 CB :: 44.696 CG :: 26.412 CD1 :: 25.542 CD2 :: 25.345 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 :: 7.080 HA :: 4.441 HB2 :: 1.460 HB3 :: 1.121 HG :: 1.082 HD11 :: 0.120 HD12 :: 0.120 HD13 :: 0.120 HD21 :: 0.276 HD22 :: 0.276 HD23 :: 0.276 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 :: 112.364 Ave N Shift Values>> N :: 121.98(4.07) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 M 0.04 A 0.02 C Shift Assignments>> C :: 172.206 CA :: 52.343 CB :: 33.493 CG :: 23.998 CD :: 29.122 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 :: 7.231 HA :: 4.709 HB2 :: 1.716 HB3 :: 1.659 HG2 :: 1.358 HG3 :: 1.289 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 3.010 HE3 :: 2.932 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 :: 122.033 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 177.604 CA :: 61.669 CB :: 32.467 CG :: 26.871 CD :: 50.072 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 :: 4.156 HB2 :: 1.898 HB3 :: 1.471 HG2 :: 1.972 HG3 :: 1.972 HD2 :: 3.655 HD3 :: 3.580 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.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 C 0.13 R 0.11 G 0.08 N 0.05 K 0.05 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.643 CA :: 51.793 CB :: 42.786 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.419 HA :: 5.332 HB2 :: 3.282 HB3 :: 2.448 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 :: 115.598 Ave N Shift Values>> N :: 119.95(4.79) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.21 M 0.02 HN Overlap>> 1.N68 1.N68 C Shift Assignments>> C :: 177.945 CA :: 56.590 CB :: 32.639 CG :: 25.745 CD :: 29.066 CE :: 41.805 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.479 HA :: 4.596 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 1.701 HG3 :: 1.457 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.073 HE3 :: 3.046 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.04 HN Overlap>> 1.I105 1.I105 C Shift Assignments>> C :: 178.004 CA :: 57.142 CB :: 41.245 CG :: 27.193 CD1 :: 24.895 CD2 :: 24.247 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 :: 9.333 HA :: 3.995 HB2 :: 1.498 HB3 :: 1.498 HG :: 1.486 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.527 HD22 :: 0.527 HD23 :: 0.527 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 :: 126.563 Ave N Shift Values>> N :: 121.98(4.07) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.407 CA :: 45.018 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.865 HA2 :: 4.356 HA3 :: 3.778 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.990 Ave N Shift Values>> N :: 109.91(4.29) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.61 C 0.36 HN Overlap>> 1.M184 1.M184 C Shift Assignments>> C :: 176.618 CA :: 52.291 CB :: 40.390 CG :: 181.092 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 :: 7.699 HA :: 4.889 HB2 :: 3.335 HB3 :: 2.525 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.920 Ave N Shift Values>> N :: 120.73(4.2) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.45 A 0.07 HN Overlap>> 1.Q81 1.Q81 C Shift Assignments>> C :: 178.782 CA :: 56.198 CB :: 30.998 CG :: 32.344 CE :: 16.556 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.626 HA :: 4.483 HB2 :: 2.224 HB3 :: 2.188 HG2 :: 2.908 HG3 :: 2.697 HE1 :: 2.155 HE2 :: 2.155 HE3 :: 2.155 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 :: 126.237 Ave N Shift Values>> N :: 120.1(3.88) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.37 E 0.15 C Shift Assignments>> C :: 178.596 CA :: 59.176 CB :: 27.735 CG :: 34.065 CD :: 180.151 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 :: 8.307 HA :: 4.205 HB2 :: 2.237 HB3 :: 2.237 HG2 :: 2.492 HG3 :: 2.436 HE21 :: 7.567 HE22 :: 6.873 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 :: 122.308 NE2 :: 112.441 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.23 Y 0.2 F 0.14 E 0.11 M 0.01 V 0.01 HN Overlap>> 1.K197 1.K197 C Shift Assignments>> C :: 177.002 CA :: 59.976 CB :: 37.513 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.049 HA :: 4.218 HB2 :: 3.064 HB3 :: 2.925 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 :: 121.261 Ave N Shift Values>> N :: 119.95(4.79) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.08 G 0.01 C Shift Assignments>> C :: 180.549 CA :: 57.739 CB :: 42.015 CG :: 26.873 CD1 :: 23.536 CD2 :: 25.449 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 :: 8.174 HA :: 4.003 HB2 :: 1.635 HB3 :: 1.635 HG :: 1.382 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 HD21 :: 0.367 HD22 :: 0.367 HD23 :: 0.367 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 :: 121.650 Ave N Shift Values>> N :: 121.98(4.07) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.438 CA :: 62.651 CB :: 62.583 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.540 HA :: 4.240 HB2 :: 4.152 HB3 :: 4.072 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 :: 117.750 Ave N Shift Values>> N :: 116.3(3.95) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 176.839 CA :: 61.472 CB :: 62.615 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.718 HA :: 4.459 HB2 :: 4.066 HB3 :: 4.066 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 :: 119.419 Ave N Shift Values>> N :: 116.3(3.95) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.39 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 180.071 CA :: 55.110 CB :: 18.698 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.205 HA :: 4.139 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.661 Ave N Shift Values>> N :: 123.23(3.7) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.657 CA :: 68.306 CB :: 68.263 CG2 :: 19.951 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 :: 8.340 HA :: 4.471 HB :: 3.816 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.981 Ave N Shift Values>> N :: 115.7(5.05) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.49 HN Overlap>> 1.V206 1.V206 C Shift Assignments>> C :: 179.322 CA :: 59.630 CB :: 29.561 CG :: 35.780 CD :: 183.349 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 :: 7.843 HA :: 4.227 HB2 :: 2.267 HB3 :: 2.267 HG2 :: 2.571 HG3 :: 2.356 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 :: 121.352 Ave N Shift Values>> N :: 120.68(3.68) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.43 E 0.12 HN Overlap>> 1.D174 1.D174 C Shift Assignments>> C :: 177.291 CA :: 58.815 CB :: 28.602 CG :: 33.518 CD :: 179.584 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 :: 7.871 HA :: 4.181 HB2 :: 2.241 HB3 :: 2.241 HG2 :: 2.519 HG3 :: 2.379 HE21 :: 7.011 HE22 :: 6.649 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.304 NE2 :: 110.615 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.25 C 0.19 C Shift Assignments>> C :: 179.971 CA :: 61.785 CB :: 40.157 CD1 :: 131.536 CD2 :: 131.536 CE1 :: 131.115 CE2 :: 131.115 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 :: 8.749 HA :: 4.362 HB2 :: 3.235 HB3 :: 2.928 HD1 :: 6.912 HD2 :: 6.912 HE1 :: 7.241 HE2 :: 7.241 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 :: 121.603 Ave N Shift Values>> N :: 120.69(4.18) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.33 R 0.18 K 0.01 A 0.01 HN Overlap>> 1.A212 1.V124 1.A212 1.V124 C Shift Assignments>> C :: 178.401 CA :: 57.481 CB :: 41.485 CG :: 27.136 CD1 :: 27.538 CD2 :: 22.379 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 :: 9.055 HA :: 3.908 HB2 :: 2.163 HB3 :: 1.465 HG :: 2.066 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.861 Ave N Shift Values>> N :: 121.98(4.07) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.47 HN Overlap>> 1.L190 1.D57 1.L190 1.D57 C Shift Assignments>> C :: 179.861 CA :: 59.817 CB :: 28.824 CG :: 35.460 CD :: 182.932 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 :: 7.947 HA :: 4.048 HB2 :: 2.241 HB3 :: 2.241 HG2 :: 2.247 HG3 :: 2.337 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 :: 120.079 Ave N Shift Values>> N :: 120.68(3.68) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.19 M 0.01 HN Overlap>> 1.T108 1.T108 C Shift Assignments>> C :: 178.830 CA :: 58.306 CB :: 33.123 CG :: 25.609 CD :: 28.907 CE :: 41.885 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 :: 8.139 HA :: 4.137 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.721 HG3 :: 1.584 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 3.006 HE3 :: 2.940 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 :: 117.019 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.980 CA :: 62.565 CB :: 70.281 CG2 :: 21.359 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 :: 7.795 HA :: 3.960 HB :: 4.010 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 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 :: 106.006 Ave N Shift Values>> N :: 115.7(5.05) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.510 CA :: 63.080 CB :: 62.524 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.482 HA :: 3.968 HB2 :: 4.394 HB3 :: 4.394 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 :: 117.421 Ave N Shift Values>> N :: 116.3(3.95) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.31 R 0.26 M 0.02 HN Overlap>> 1.D174 1.D174 C Shift Assignments>> C :: 177.233 CA :: 55.344 CB :: 31.762 CG :: 24.768 CD :: 28.430 CE :: 41.948 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 :: 7.938 HA :: 4.629 HB2 :: 2.136 HB3 :: 1.813 HG2 :: 1.569 HG3 :: 1.569 HD2 :: 1.756 HD3 :: 1.756 HE2 :: 3.083 HE3 :: 3.083 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.196 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.467 CA :: 43.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.980 HA2 :: 4.224 HA3 :: 3.315 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.414 Ave N Shift Values>> N :: 109.91(4.29) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.S164 1.S164 C Shift Assignments>> C :: 174.389 CA :: 59.883 CB :: 40.033 CG1 :: 26.880 CG2 :: 18.520 CD1 :: 14.423 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 :: 8.330 HA :: 4.441 HB :: 1.941 HG12 :: 1.119 HG13 :: 1.119 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 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 :: 116.729 Ave N Shift Values>> N :: 121.6(4.72) 1.P35 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>> C :: 179.597 CA :: 65.969 CB :: 31.975 CG :: 27.045 CD :: 50.771 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 :: 4.435 HB2 :: 2.044 HB3 :: 2.496 HG2 :: 2.165 HG3 :: 2.127 HD2 :: 3.928 HD3 :: 3.630 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.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 Q 0.35 E 0.04 C Shift Assignments>> C :: 175.997 CA :: 58.321 CB :: 27.022 CG :: 32.582 CD :: 180.217 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 :: 9.341 HA :: 4.161 HB2 :: 1.902 HB3 :: 1.710 HG2 :: 1.999 HG3 :: 1.775 HE21 :: 7.204 HE22 :: 6.762 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 :: 117.664 NE2 :: 111.574 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y37 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 :: 174.995 CA :: 53.520 CB :: 39.374 CD1 :: 131.159 CD2 :: 131.159 CE1 :: 117.915 CE2 :: 117.915 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 :: 7.298 HA :: 5.086 HB2 :: 3.465 HB3 :: 2.527 HD1 :: 6.931 HD2 :: 6.931 HE1 :: 6.817 HE2 :: 6.817 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 :: 116.821 Ave N Shift Values>> N :: 120.79(4.69) 1.D38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 D 0.36 E 0.02 HN Overlap>> 1.N177 1.N177 C Shift Assignments>> C :: 173.461 CA :: 55.436 CB :: 40.402 CG :: 181.689(A) 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 :: 8.286 HA :: 4.468 HB2 :: 2.510 HB3 :: 3.303 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.985 Ave N Shift Values>> N :: 120.73(4.2) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 177.159 CA :: 60.101 CB :: 37.698 CG1 :: 28.800 CG2 :: 17.451 CD1 :: 13.603 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.325 HA :: 4.211 HB :: 1.800 HG12 :: 0.964 HG13 :: 1.703 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.608 Ave N Shift Values>> N :: 121.6(4.72) 1.W40 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.59 C 0.39 C Shift Assignments>> C :: 173.559 CA :: 52.992 CB :: 28.504 CD1 :: 124.107 CE3 :: 120.143 CZ2 :: 113.529 CZ3 :: 121.095 CH2 :: 124.349 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 :: 10.148 HA :: 5.168 HB2 :: 3.050 HB3 :: 3.323 HD1 :: 6.706 HE1 :: 9.844 HE3 :: 7.431 HZ2 :: 7.105 HZ3 :: 6.894 HH2 :: 7.014 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 :: 138.107(A) NE1 :: 128.618 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.012 CA :: 63.575 CB :: 31.613 CG :: 27.425 CD :: 50.019 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 :: 4.226 HB2 :: 2.212 HB3 :: 1.925 HG2 :: 2.021 HG3 :: 2.021 HD2 :: 4.013 HD3 :: 3.712 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>> C 0.55 I 0.42 A 0.01 C Shift Assignments>> C :: 174.977 CA :: 59.252 CB :: 41.547 CG1 :: 27.331 CG2 :: 19.307 CD1 :: 15.180 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.537 HA :: 4.708 HB :: 1.956 HG12 :: 1.214 HG13 :: 1.214 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 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 :: 112.936 Ave N Shift Values>> N :: 121.6(4.72) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.62 C 0.28 G 0.08 HN Overlap>> 1.S21 1.S21 C Shift Assignments>> CA :: 52.662 CB :: 42.559 CG :: 180.321 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.750 HA :: 4.864 HB2 :: 2.937 HB3 :: 2.369 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 :: 119.348 Ave N Shift Values>> N :: 120.73(4.2) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.37 C Shift Assignments>> C :: 174.752 CA :: 63.283 CB :: 34.170 CG :: 25.513 CD :: 50.341 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 :: 4.930 HB2 :: 2.267 HB3 :: 1.815 HG2 :: 2.017 HG3 :: 1.871 HD2 :: 3.645 HD3 :: 3.595 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.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 L 0.26 R 0.22 G 0.21 K 0.01 C Shift Assignments>> C :: 174.882 CA :: 53.906 CB :: 43.786 CG :: 27.653 CD1 :: 25.344 CD2 :: 27.526 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 :: 8.833 HA :: 4.471 HB2 :: 1.637 HB3 :: 1.637 HG :: 1.500 HD11 :: 1.095 HD12 :: 1.095 HD13 :: 1.095 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 125.479 Ave N Shift Values>> N :: 121.98(4.07) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.328 CA :: 60.254 CB :: 33.184 CG1 :: 20.338 CG2 :: 20.717 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 :: 8.260 HA :: 5.176 HB :: 1.792 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 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 :: 126.117 Ave N Shift Values>> N :: 121.02(4.96) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.737 CA :: 60.629 CB :: 33.468 CG1 :: 21.143 CG2 :: 20.390 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 :: 8.765 HA :: 4.226 HB :: 1.847 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 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 :: 129.541 Ave N Shift Values>> N :: 121.02(4.96) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 175.728 CA :: 66.904 CB :: 68.249 CG2 :: 22.143 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 :: 8.721 HA :: 3.811 HB :: 4.134 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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 :: 122.232 Ave N Shift Values>> N :: 115.7(5.05) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.935 CA :: 57.328 CB :: 64.646 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.426 HA :: 5.103 HB2 :: 3.721 HB3 :: 3.854 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.419 Ave N Shift Values>> N :: 116.3(3.95) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.38 L 0.21 C Shift Assignments>> C :: 173.180 CA :: 55.666 CB :: 46.273 CG :: 27.214 CD1 :: 24.647 CD2 :: 26.451 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 :: 8.215 HA :: 4.446 HB2 :: 1.552 HB3 :: 1.442 HG :: 1.477 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.603 HD22 :: 0.603 HD23 :: 0.603 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 :: 125.955 Ave N Shift Values>> N :: 121.98(4.07) 1.D51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.66 C 0.21 G 0.05 N 0.05 C Shift Assignments>> C :: 175.322 CA :: 52.964 CB :: 42.579 CG :: 178.886 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 :: 8.602 HA :: 5.697(S) HB2 :: 2.518 HB3 :: 2.338 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 :: 126.928 Ave N Shift Values>> N :: 120.73(4.2) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.39 C Shift Assignments>> C :: 173.255 CA :: 61.174 CB :: 34.668 CG1 :: 21.118 CG2 :: 20.525 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.532 HA :: 4.239 HB :: 1.972 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.559 Ave N Shift Values>> N :: 121.02(4.96) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.963 CA :: 60.087 CB :: 38.602 CG1 :: 28.017 CG2 :: 17.736 CD1 :: 13.036 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 :: 8.442 HA :: 4.505 HB :: 1.780 HG12 :: 1.538 HG13 :: 1.197 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 127.801 Ave N Shift Values>> N :: 121.6(4.72) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 176.320 CA :: 50.682 CB :: 18.232 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.260 HA :: 4.523 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.388 Ave N Shift Values>> N :: 123.23(3.7) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.199 CA :: 63.863 CB :: 31.593 CG :: 27.484 CD :: 50.676 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 :: 4.417 HB2 :: 2.038 HB3 :: 2.321 HG2 :: 2.122 HG3 :: 2.122 HD2 :: 3.854 HD3 :: 3.854 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.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.396 CA :: 58.451 CB :: 63.368 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.970 HA :: 4.382 HB2 :: 3.982 HB3 :: 3.878 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.865 Ave N Shift Values>> N :: 116.3(3.95) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.5 N 0.25 C 0.23 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 174.774 CA :: 54.690 CB :: 40.568 CG :: 177.767 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 :: 7.892 HA :: 4.509 HB2 :: 2.707 HB3 :: 2.614 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.095 Ave N Shift Values>> N :: 120.73(4.2) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 177.576 CA :: 52.975 CB :: 18.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.077 HA :: 4.237 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.579 Ave N Shift Values>> N :: 123.23(3.7) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.099 CA :: 45.818 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.361 HA2 :: 3.798 HA3 :: 4.069 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.468 Ave N Shift Values>> N :: 109.91(4.29) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 1.T119 1.T119 C Shift Assignments>> C :: 173.851 CA :: 60.433 CB :: 39.703 CG1 :: 26.971 CG2 :: 16.756 CD1 :: 13.692 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.768 HA :: 4.987 HB :: 1.832 HG12 :: 1.508 HG13 :: 0.972 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 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 :: 121.628 Ave N Shift Values>> N :: 121.6(4.72) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.12 I 0.03 C Shift Assignments>> C :: 173.564 CA :: 61.139 CB :: 34.746 CG1 :: 21.173 CG2 :: 16.679 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 :: 8.722 HA :: 4.502 HB :: 1.914 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 127.063 Ave N Shift Values>> N :: 121.02(4.96) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 A 0.01 C Shift Assignments>> C :: 173.873 CA :: 59.027 CB :: 38.702 CG1 :: 28.345 CG2 :: 18.742 CD1 :: 13.735 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 :: 8.961 HA :: 4.568 HB :: 1.747 HG12 :: 1.303 HG13 :: 1.058 HG21 :: 0.027 HG22 :: 0.027 HG23 :: 0.027 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 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 :: 127.062 Ave N Shift Values>> N :: 121.6(4.72) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.31 K 0.14 G 0.06 C Shift Assignments>> C :: 175.261 CA :: 53.994 CB :: 30.784 CG :: 27.376 CD :: 43.044 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 :: 9.114 HA :: 5.097 HB2 :: 1.679 HB3 :: 1.679 HG2 :: 1.449 HG3 :: 1.338 HD2 :: 3.029 HD3 :: 2.873 HE :: 7.634 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 :: 125.477 NE :: 86.477 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.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 176.898 CA :: 56.331 CB :: 41.533 CD1 :: 131.171 CD2 :: 131.171 CE1 :: 130.346 CE2 :: 130.346 CZ :: 128.011 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 :: 9.240 HA :: 5.524 HB2 :: 3.082 HB3 :: 2.713 HD1 :: 6.949 HD2 :: 6.949 HE1 :: 6.267 HE2 :: 6.267 HZ :: 6.120 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 :: 121.472 Ave N Shift Values>> N :: 120.69(4.18) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.3 R 0.16 C Shift Assignments>> C :: 174.413 CA :: 54.250 CB :: 36.634 CG :: 24.887 CD :: 28.907 CE :: 41.730 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 :: 8.935 HA :: 5.018 HB2 :: 1.856 HB3 :: 1.698 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.896 HE3 :: 2.834 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 :: 121.144 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.34 D 0.11 E 0.07 Q 0.01 HN Overlap>> 1.Q76 1.Q76 C Shift Assignments>> C :: 175.047 CA :: 53.866 CB :: 36.812 CG :: 178.397 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 :: 8.611 HA :: 4.119 HB2 :: 2.847 HB3 :: 3.009 HD21 :: 7.919 HD22 :: 6.827 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 :: 117.889 ND2 :: 115.210 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.23 G 0.17 R 0.08 A 0.01 C Shift Assignments>> C :: 175.904 CA :: 54.725 CB :: 43.853 CG :: 26.716 CD1 :: 23.807 CD2 :: 25.912 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 :: 8.111 HA :: 4.742 HB2 :: 1.805 HB3 :: 1.126 HG :: 1.378 HD11 :: 0.450 HD12 :: 0.450 HD13 :: 0.450 HD21 :: 0.406 HD22 :: 0.406 HD23 :: 0.406 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 :: 117.599 Ave N Shift Values>> N :: 121.98(4.07) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 N 0.37 C 0.18 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 174.880 CA :: 52.594 CB :: 41.564 CG :: 176.226 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 :: 9.530 HA :: 5.273 HB2 :: 2.736 HB3 :: 2.606 HD21 :: 7.043 HD22 :: 6.592 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 :: 123.331 ND2 :: 110.510 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.19 V 0.04 C Shift Assignments>> C :: 176.512 CA :: 60.813 CB :: 41.186 CG1 :: 29.770 CG2 :: 20.297 CD1 :: 16.517 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 :: 9.540 HA :: 5.253 HB :: 1.919 HG12 :: 1.404 HG13 :: 0.909 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 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 :: 126.657 Ave N Shift Values>> N :: 121.6(4.72) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 173.362 CA :: 59.500 CB :: 71.416 CG2 :: 22.263 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 :: 9.452 HA :: 5.201 HB :: 4.369 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 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 :: 121.834 Ave N Shift Values>> N :: 115.7(5.05) 1.G71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 177.495 CA :: 45.035 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.646 HA2 :: 5.341(S) HA3 :: 3.779 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.131 Ave N Shift Values>> N :: 109.91(4.29) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.04 A 0.01 C Shift Assignments>> C :: 180.009 CA :: 57.473 CB :: 41.333 CG :: 26.743 CD1 :: 25.405 CD2 :: 22.445 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 :: 9.074 HA :: 3.882 HB2 :: 1.973 HB3 :: 1.020 HG :: 1.659 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.457 HD22 :: 0.457 HD23 :: 0.457 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.154 Ave N Shift Values>> N :: 121.98(4.07) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.18 M 0.05 C Shift Assignments>> C :: 174.801 CA :: 58.517 CB :: 31.467 CG :: 23.680 CD :: 29.508 CE :: 41.742 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 :: 10.482(S) HA :: 4.173 HB2 :: 1.886 HB3 :: 1.594 HG2 :: 1.585 HG3 :: 1.164 HD2 :: 1.646 HD3 :: 1.646 HE2 :: 3.002 HE3 :: 2.953 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 :: 120.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.29 C 0.14 C Shift Assignments>> C :: 174.889 CA :: 52.046 CB :: 39.263 CG :: 177.070 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.510 HA :: 5.105 HB2 :: 3.217 HB3 :: 2.669 HD21 :: 7.702 HD22 :: 6.903 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 :: 115.416 ND2 :: 112.679 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Q 0.2 E 0.15 N 0.02 C Shift Assignments>> C :: 173.411 CA :: 56.396 CB :: 32.204 CG :: 34.959 CD :: 178.525 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 :: 6.917 HA :: 4.712 HB2 :: 2.011 HB3 :: 1.863 HG2 :: 2.227 HG3 :: 2.227 HE22 :: 7.884 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.054 NE2 :: 104.807 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Q 0.3 E 0.11 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 176.168 CA :: 52.930 CB :: 32.151 CG :: 33.784 CD :: 180.512 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 :: 8.650 HA :: 4.824 HB2 :: 2.139 HB3 :: 1.858 HG2 :: 2.444 HG3 :: 2.444 HE21 :: 7.506 HE22 :: 6.859 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 :: 117.971 NE2 :: 113.088 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 175.651 CA :: 62.256 CB :: 37.311 CG1 :: 27.622 CG2 :: 17.574 CD1 :: 11.585 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 :: 9.347 HA :: 4.075 HB :: 1.944 HG12 :: 1.633 HG13 :: 1.227 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 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 :: 123.244 Ave N Shift Values>> N :: 121.6(4.72) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A120 1.A120 C Shift Assignments>> C :: 174.387 CA :: 58.889 CB :: 64.213 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.219 HA :: 4.621 HB2 :: 3.628 HB3 :: 3.539 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 :: 125.048 Ave N Shift Values>> N :: 116.3(3.95) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 D 0.3 C 0.25 N 0.01 C Shift Assignments>> C :: 173.380 CA :: 54.205 CB :: 44.042 CG :: 178.599 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 :: 8.054 HA :: 4.780 HB2 :: 2.692 HB3 :: 2.228 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.405 Ave N Shift Values>> N :: 120.73(4.2) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.32 C 0.24 C Shift Assignments>> C :: 173.208 CA :: 57.132 CB :: 41.990 CD1 :: 131.631 CD2 :: 131.631 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 :: 8.379 HA :: 5.359 HB2 :: 3.020 HB3 :: 2.735 HD1 :: 7.176 HD2 :: 7.176 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 :: 123.861 Ave N Shift Values>> N :: 120.69(4.18) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Q 0.39 E 0.04 HN Overlap>> 1.M16 1.M16 C Shift Assignments>> C :: 173.079 CA :: 53.617 CB :: 31.203 CG :: 32.484 CD :: 179.859 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 :: 8.627 HA :: 4.290 HB2 :: 1.877 HB3 :: 1.617 HG2 :: 2.162 HG3 :: 2.162 HE21 :: 8.061 HE22 :: 6.586 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 :: 126.216 NE2 :: 113.422 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 A 0.33 C 0.29 C Shift Assignments>> C :: 172.958 CA :: 54.089 CB :: 35.169 CG :: 31.873 CE :: 17.553 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.462 HA :: 4.810 HB2 :: 2.160 HB3 :: 1.256 HG2 :: 1.938 HG3 :: 1.758 HE1 :: 1.403 HE2 :: 1.403 HE3 :: 1.403 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 :: 126.801 Ave N Shift Values>> N :: 120.1(3.88) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.69 C 0.27 G 0.01 N 0.01 C Shift Assignments>> C :: 177.706 CA :: 51.940 CB :: 41.576 CG :: 180.499 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 :: 8.567 HA :: 4.864 HB2 :: 3.111 HB3 :: 2.324 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.837 Ave N Shift Values>> N :: 120.73(4.2) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 175.536 CA :: 62.393 CB :: 68.348 CG2 :: 21.843 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 :: 8.534 HA :: 4.643 HB :: 4.505 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.935 Ave N Shift Values>> N :: 115.7(5.05) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 177.349 CA :: 57.857 CB :: 32.034 CG :: 24.717 CD :: 28.645 CE :: 41.711 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.399 HA :: 4.335 HB2 :: 1.929 HB3 :: 1.929 HG2 :: 1.473 HG3 :: 1.375 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.715 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 176.646 CA :: 52.165 CB :: 19.168 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.891 HA :: 4.042 HB1 :: 1.216 HB2 :: 1.216 HB3 :: 1.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.794 Ave N Shift Values>> N :: 123.23(3.7) 1.K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 C 0.34 K 0.17 L 0.12 C Shift Assignments>> C :: 174.891 CA :: 57.164 CB :: 29.148 CG :: 24.741 CD :: 27.138 CE :: 41.984 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 :: 7.720 HA :: 3.479 HB2 :: 1.523 HB3 :: 1.622 HG2 :: 0.915 HG3 :: 1.072 HD2 :: 1.874 HD3 :: 0.563(S) HE2 :: 3.095 HE3 :: 3.065 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.299 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.26 A 0.01 C Shift Assignments>> C :: 172.722 CA :: 59.453 CB :: 72.132 CG2 :: 21.011 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 :: 7.776 HA :: 4.916 HB :: 4.002 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 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 :: 108.216 Ave N Shift Values>> N :: 115.7(5.05) 1.V89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.T48 1.T48 C Shift Assignments>> C :: 173.884 CA :: 61.227 CB :: 35.219 CG1 :: 22.263 CG2 :: 21.951 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 :: 8.758 HA :: 4.232 HB :: 0.798(S) HG11 :: 0.647 HG12 :: 0.647 HG13 :: 0.647 HG21 :: 0.478 HG22 :: 0.478 HG23 :: 0.478 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.288 Ave N Shift Values>> N :: 121.02(4.96) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.27 C 0.2 R 0.05 A 0.01 C Shift Assignments>> C :: 173.320 CA :: 53.697 CB :: 44.337 CG :: 27.752 CD1 :: 25.005 CD2 :: 23.743 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 :: 8.146 HA :: 4.880 HB2 :: 1.320 HB3 :: 1.464 HG :: 1.258 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 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 :: 128.628 Ave N Shift Values>> N :: 121.98(4.07) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.26 C 0.14 A 0.01 C Shift Assignments>> C :: 173.314 CA :: 53.756 CB :: 45.233 CD1 :: 23.903 CD2 :: 25.225 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 :: 8.990 HA :: 5.106 HB2 :: 1.939 HB3 :: 1.405 HD11 :: 1.091 HD12 :: 1.091 HD13 :: 1.091 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.999 Ave N Shift Values>> N :: 121.98(4.07) 1.K92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.13 M 0.02 HN Overlap>> 1.A95 1.A95 C Shift Assignments>> C :: 176.683 CA :: 54.310 CB :: 35.290 CG :: 25.015 CD :: 29.395 CE :: 41.463 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 :: 8.976 HA :: 5.881(S) HB2 :: 1.642 HB3 :: 1.642 HG2 :: 1.268 HG3 :: 1.208 HD2 :: 1.577 HD3 :: 1.577 HE2 :: 2.739 HE3 :: 2.678 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.107 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.38 A 0.04 C Shift Assignments>> C :: 170.519 CA :: 58.218 CB :: 72.095 CG2 :: 21.435 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 :: 9.049 HA :: 5.521 HB :: 4.294 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.324 Ave N Shift Values>> N :: 115.7(5.05) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.32 R 0.12 M 0.02 A 0.01 C Shift Assignments>> C :: 175.680 CA :: 53.550 CB :: 36.214 CG :: 24.452 CD :: 29.513 CE :: 41.655 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 :: 8.866 HA :: 5.678 HB2 :: 1.751 HB3 :: 1.685 HG2 :: 1.447 HG3 :: 1.344 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.892 HE3 :: 2.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.875 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.24 C 0.14 M 0.11 K 0.01 HN Overlap>> 1.K92 1.K92 C Shift Assignments>> C :: 174.307 CA :: 50.872 CB :: 22.247 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.985 HA :: 4.752 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.175 Ave N Shift Values>> N :: 123.23(3.7) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.67 C 0.3 N 0.02 C Shift Assignments>> C :: 175.067 CA :: 53.652 CB :: 40.919 CG :: 180.367 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 :: 5.181 HB2 :: 2.650 HB3 :: 2.570 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 :: 123.657 Ave N Shift Values>> N :: 120.73(4.2) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.36 C 0.15 A 0.1 R 0.01 C Shift Assignments>> C :: 175.831 CA :: 53.324 CB :: 44.604 CG :: 26.367 CD1 :: 25.060 CD2 :: 22.385 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 :: 8.967 HA :: 5.272 HB2 :: 1.727 HB3 :: 1.146 HG :: 1.672 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.573 HD22 :: 0.573 HD23 :: 0.573 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.619 Ave N Shift Values>> N :: 121.98(4.07) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.33 C 0.25 C Shift Assignments>> C :: 173.443 CA :: 54.893 CB :: 29.550 CD2 :: 119.760 CE1 :: 135.824 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 :: 8.741 HA :: 5.535 HB2 :: 3.507 HB3 :: 2.957 HD2 :: 7.298 HE1 :: 8.425 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.735 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 173.724 CA :: 60.317 CB :: 41.535 CG1 :: 27.911 CG2 :: 18.653 CD1 :: 13.945 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 :: 9.138 HA :: 4.624 HB :: 1.749 HG12 :: 1.501 HG13 :: 0.955 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 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 :: 128.652 Ave N Shift Values>> N :: 121.6(4.72) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 HN Overlap>> 1.A193 1.A193 C Shift Assignments>> C :: 175.498 CA :: 59.855 CB :: 35.586 CG1 :: 20.510 CG2 :: 21.269 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 :: 8.468 HA :: 5.488 HB :: 2.057 HG11 :: 1.062 HG12 :: 1.062 HG13 :: 1.062 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 124.373 Ave N Shift Values>> N :: 121.02(4.96) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 170.832 CA :: 46.212 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.172 HA2 :: 4.636 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.859 Ave N Shift Values>> N :: 109.91(4.29) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 C 0.35 N 0.18 G 0.01 C Shift Assignments>> C :: 175.005 CA :: 55.073 CB :: 42.027 CG :: 175.970 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 :: 8.140 HA :: 5.124 HB2 :: 2.766 HB3 :: 2.766 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.746 Ave N Shift Values>> N :: 120.73(4.2) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.25 G 0.05 A 0.01 C Shift Assignments>> C :: 172.909 CA :: 58.579 CB :: 42.588 CG1 :: 28.097 CG2 :: 16.271 CD1 :: 15.617 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 :: 8.718 HA :: 5.263 HB :: 1.427 HG12 :: 0.606 HG13 :: 0.813 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.440 HD12 :: 0.440 HD13 :: 0.440 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 :: 118.989 Ave N Shift Values>> N :: 121.6(4.72) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.Q142 1.Q142 C Shift Assignments>> C :: 174.829 CA :: 60.877 CB :: 34.867 CG1 :: 20.719 CG2 :: 20.719 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 :: 8.646 HA :: 4.776 HB :: 1.885 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 127.433 Ave N Shift Values>> N :: 121.02(4.96) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 174.045 CA :: 60.224 CB :: 39.946 CG2 :: 16.698 CD1 :: 14.897 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.310 HA :: 4.514 HB :: 1.849 HG12 :: 1.547 HG13 :: 1.547 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 126.464 Ave N Shift Values>> N :: 121.6(4.72) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 174.579 CA :: 54.825 CB :: 31.535 CG :: 35.918 CD :: 182.912 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 :: 9.410 HA :: 4.827 HB2 :: 2.217 HB3 :: 1.927 HG2 :: 2.072 HG3 :: 1.925 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 :: 127.602 Ave N Shift Values>> N :: 120.68(3.68) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 A 0.01 C Shift Assignments>> C :: 178.088 CA :: 53.051 CB :: 39.814 CG :: 27.639 CD1 :: 25.671 CD2 :: 24.489 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 :: 8.452 HA :: 5.083 HB2 :: 1.784 HB3 :: 1.720 HG :: 1.666 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 125.731 Ave N Shift Values>> N :: 121.98(4.07) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 177.472 CA :: 65.855 CB :: 68.423 CG2 :: 21.756 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 :: 8.101 HA :: 3.953 HB :: 4.124 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.994 Ave N Shift Values>> N :: 115.7(5.05) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.49 C Shift Assignments>> C :: 177.245 CA :: 58.249 CB :: 29.067 CG :: 36.196 CD :: 183.138 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 :: 9.021 HA :: 4.190 HB2 :: 2.140 HB3 :: 2.035 HG2 :: 2.371 HG3 :: 2.264 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 :: 121.341 Ave N Shift Values>> N :: 120.68(3.68) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 C 0.38 E 0.15 C Shift Assignments>> C :: 174.663 CA :: 55.232 CB :: 29.968 CG :: 33.952 CD :: 179.473 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 :: 7.410 HA :: 4.444 HB2 :: 2.355 HB3 :: 1.746 HG2 :: 2.352 HG3 :: 2.352 HE21 :: 7.580 HE22 :: 6.983 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 :: 114.613 NE2 :: 112.599 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.366 CA :: 58.280 CB :: 61.303 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.800 HA :: 3.991 HB2 :: 4.046 HB3 :: 3.901 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 :: 113.100 Ave N Shift Values>> N :: 116.3(3.95) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.23 R 0.2 M 0.01 G 0.01 C Shift Assignments>> C :: 174.688 CA :: 54.413 CB :: 36.924 CG :: 24.656 CD :: 29.570 CE :: 41.804 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 :: 7.214 HA :: 4.561 HB2 :: 1.495 HB3 :: 1.435 HG2 :: 1.311 HG3 :: 1.228 HD2 :: 1.768 HD3 :: 1.603 HE2 :: 2.961 HE3 :: 2.961 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 :: 116.963 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S113 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 :: 172.212 CA :: 56.509 CB :: 65.387 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.882 HA :: 5.331 HB2 :: 3.532 HB3 :: 3.478 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 :: 115.947 Ave N Shift Values>> N :: 116.3(3.95) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.3 G 0.06 C Shift Assignments>> C :: 174.480 CA :: 55.807 CB :: 42.820 CD1 :: 131.868 CD2 :: 131.868 CE1 :: 130.605 CE2 :: 130.605 CZ :: 129.209 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 :: 8.879 HA :: 4.990 HB2 :: 3.112 HB3 :: 2.525 HD1 :: 7.106 HD2 :: 7.106 HE1 :: 7.150 HE2 :: 7.150 HZ :: 7.175 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 :: 121.641 Ave N Shift Values>> N :: 120.69(4.18) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 173.264 CA :: 59.747 CB :: 71.374 CG2 :: 20.910 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 :: 8.581 HA :: 5.502 HB :: 4.197 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.718 Ave N Shift Values>> N :: 115.7(5.05) 1.G116 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>> C :: 170.545 CA :: 46.613 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.355 HA2 :: 4.223 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.351 Ave N Shift Values>> N :: 109.91(4.29) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.32 C 0.23 C Shift Assignments>> C :: 174.624 CA :: 54.006 CB :: 46.005 CG :: 27.171 CD1 :: 24.940 CD2 :: 24.229 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 :: 8.778 HA :: 5.140 HB2 :: 1.797 HB3 :: 1.560 HG :: 1.663 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.462 Ave N Shift Values>> N :: 121.98(4.07) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.36 G 0.04 C Shift Assignments>> C :: 172.692 CA :: 56.530 CB :: 42.635 CD1 :: 132.855 CD2 :: 132.855 CE1 :: 118.085 CE2 :: 118.085 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 :: 9.165 HA :: 4.954 HB2 :: 2.892 HB3 :: 2.724 HD1 :: 6.737 HD2 :: 6.737 HE1 :: 6.377 HE2 :: 6.377 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.440 Ave N Shift Values>> N :: 120.79(4.69) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.I60 1.I60 C Shift Assignments>> C :: 172.082 CA :: 60.426 CB :: 70.939 CG2 :: 20.769 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 :: 7.768 HA :: 5.293 HB :: 3.911 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 121.696 Ave N Shift Values>> N :: 115.7(5.05) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.25 A 0.1 P 0.09 K 0.07 M 0.05 R 0.01 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> C :: 174.890 CA :: 50.332 CB :: 23.659 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.155 HA :: 5.219 HB1 :: 0.977 HB2 :: 0.977 HB3 :: 0.977 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.081 Ave N Shift Values>> N :: 123.23(3.7) 1.D121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.74 C 0.18 D 0.06 C Shift Assignments>> C :: 175.528 CA :: 53.533 CB :: 44.633 CG :: 180.899 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 :: 8.220 HA :: 5.938(S) HB2 :: 2.465 HB3 :: 2.734 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.196 Ave N Shift Values>> N :: 120.73(4.2) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 170.224 CA :: 60.325 CB :: 69.512 CG2 :: 18.768 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 :: 8.553 HA :: 4.737 HB :: 3.919 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.667 Ave N Shift Values>> N :: 115.7(5.05) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.4 C 0.15 C Shift Assignments>> C :: 173.822 CA :: 52.571 CB :: 40.735 CG :: 176.592 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 :: 8.304 HA :: 5.623 HB2 :: 2.665 HB3 :: 2.604 HD21 :: 7.669 HD22 :: 6.285 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 :: 124.762 ND2 :: 111.653 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 HN Overlap>> 1.L27 1.A212 1.L27 1.A212 C Shift Assignments>> C :: 174.966 CA :: 59.551 CB :: 35.203 CG1 :: 21.157 CG2 :: 21.157 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 :: 8.958 HA :: 4.850 HB :: 2.134 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 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 :: 120.879 Ave N Shift Values>> N :: 121.02(4.96) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.D3 1.D3 C Shift Assignments>> C :: 175.346 CA :: 60.885 CB :: 39.112 CG1 :: 26.981 CG2 :: 16.785 CD1 :: 12.878 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 :: 8.501 HA :: 5.121 HB :: 1.588 HG12 :: 1.700 HG13 :: 1.700 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 122.415 Ave N Shift Values>> N :: 121.6(4.72) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 170.033 CA :: 43.492 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.762 HA2 :: 4.418 HA3 :: 2.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.010 Ave N Shift Values>> N :: 109.91(4.29) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.19 L 0.17 M 0.07 G 0.03 K 0.01 C Shift Assignments>> C :: 175.858 CA :: 49.544 CB :: 22.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.789 HA :: 5.462 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.718 Ave N Shift Values>> N :: 123.23(3.7) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.11 I 0.07 A 0.02 C Shift Assignments>> C :: 173.469 CA :: 58.564 CB :: 35.741 CG1 :: 23.478 CG2 :: 19.567 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.348 HA :: 5.477 HB :: 2.133 HG11 :: 1.281 HG12 :: 1.281 HG13 :: 1.281 HG21 :: 1.236 HG22 :: 1.236 HG23 :: 1.236 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 :: 115.659 Ave N Shift Values>> N :: 121.02(4.96) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.3 R 0.19 G 0.08 C Shift Assignments>> C :: 175.762 CA :: 53.566 CB :: 33.746 CG :: 28.408 CD :: 43.076 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 :: 8.210 HA :: 5.494 HB2 :: 1.712 HB3 :: 1.512 HG2 :: 1.540 HG3 :: 1.478 HD2 :: 3.035 HD3 :: 3.007 HE :: 7.222 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 :: 121.768 NE :: 85.480 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.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 HN Overlap>> 1.N177 1.N177 C Shift Assignments>> C :: 173.786 CA :: 55.812 CB :: 39.724 CD1 :: 134.164 CD2 :: 134.164 CE1 :: 116.161 CE2 :: 116.161 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 :: 8.278 HA :: 4.868 HB2 :: 3.149 HB3 :: 2.930 HD1 :: 6.735 HD2 :: 6.735 HE1 :: 6.371 HE2 :: 6.371 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.145 Ave N Shift Values>> N :: 120.79(4.69) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.009 CA :: 43.039 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.661 HA2 :: 5.164 HA3 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.138 Ave N Shift Values>> N :: 109.91(4.29) 1.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 G 0.01 C Shift Assignments>> C :: 172.693 CA :: 55.877 CB :: 41.857 CD1 :: 133.130 CD2 :: 133.130 CE1 :: 117.283 CE2 :: 117.283 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 :: 7.726 HA :: 5.855 HB2 :: 3.109 HB3 :: 2.677 HD1 :: 6.606 HD2 :: 6.606 HE1 :: 6.443 HE2 :: 6.443 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 :: 113.287 Ave N Shift Values>> N :: 120.79(4.69) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.34 C 0.2 G 0.04 C Shift Assignments>> C :: 174.063 CA :: 51.223 CB :: 42.052 CG :: 175.980 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 :: 8.551 HA :: 5.051 HB2 :: 2.789 HB3 :: 2.747 HD21 :: 7.724 HD22 :: 7.033 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 :: 114.515 ND2 :: 113.764 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.22 G 0.09 R 0.07 A 0.01 C Shift Assignments>> C :: 175.499 CA :: 54.001 CB :: 43.313 CG :: 27.199 CD1 :: 24.922 CD2 :: 23.863 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 :: 8.801 HA :: 5.159 HB2 :: 1.656 HB3 :: 1.263 HG :: 1.469 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.330 HD22 :: 0.330 HD23 :: 0.330 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 :: 123.944 Ave N Shift Values>> N :: 121.98(4.07) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.32 M 0.01 A 0.01 C Shift Assignments>> C :: 175.105 CA :: 54.413 CB :: 36.139 CG :: 24.132 CD :: 28.822 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 :: 8.815 HA :: 4.660 HB2 :: 1.744 HB3 :: 1.642 HG2 :: 1.338 HG3 :: 1.338 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.936 HE3 :: 2.936 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.558 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.19 D 0.17 C Shift Assignments>> C :: 176.103 CA :: 52.148 CB :: 39.327 CG :: 175.414 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 :: 8.892 HA :: 5.316 HB2 :: 2.741 HB3 :: 2.587 HD21 :: 7.346 HD22 :: 6.658 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 :: 124.474 ND2 :: 110.135 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 C 0.21 N 0.05 C Shift Assignments>> C :: 177.745 CA :: 52.348 CB :: 41.453 CG :: 179.673 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 :: 8.570 HA :: 4.795 HB2 :: 3.433 HB3 :: 2.781 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 :: 121.696 Ave N Shift Values>> N :: 120.73(4.2) 1.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.49 C 0.46 N 0.02 E 0.02 C Shift Assignments>> C :: 176.517 CA :: 56.412 CB :: 40.153 CG :: 179.813 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 :: 8.482 HA :: 4.438 HB2 :: 2.771 HB3 :: 2.604 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.624 Ave N Shift Values>> N :: 120.73(4.2) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.33 C 0.15 C Shift Assignments>> C :: 175.322 CA :: 52.559 CB :: 39.312 CG :: 177.327 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 :: 8.440 HA :: 4.921 HB2 :: 3.016 HB3 :: 2.839 HD21 :: 7.672 HD22 :: 6.890 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 :: 116.696 ND2 :: 113.498 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.364 CA :: 45.514 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.159 HA2 :: 3.646 HA3 :: 4.167 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.338 Ave N Shift Values>> N :: 109.91(4.29) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.780 CA :: 62.081 CB :: 31.624 CG1 :: 20.764 CG2 :: 21.434 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 :: 8.109 HA :: 3.914 HB :: 2.434 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 123.253 Ave N Shift Values>> N :: 121.02(4.96) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.31 E 0.24 HN Overlap>> 1.V104 1.V104 C Shift Assignments>> C :: 175.942 CA :: 56.243 CB :: 30.680 CG :: 34.995 CD :: 179.111 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.594 HA :: 4.656 HB2 :: 1.793 HB3 :: 1.945 HG2 :: 2.207 HG3 :: 1.884 HE21 :: 7.527 HE22 :: 6.730 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 :: 127.502 NE2 :: 111.806 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.31 W 0.29 C Shift Assignments>> C :: 174.692 CA :: 54.609 CB :: 31.596 CD2 :: 121.505 CE1 :: 134.774 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 :: 9.094 HA :: 4.933 HB2 :: 3.604 HB3 :: 2.957 HD2 :: 7.370 HE1 :: 8.134 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 175.582 CA :: 59.012 CB :: 40.640 CD1 :: 131.910 CD2 :: 131.910 CE1 :: 130.835 CE2 :: 130.835 CZ :: 129.195 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 :: 9.438 HA :: 4.953 HB2 :: 2.672 HB3 :: 2.536 HD1 :: 6.862 HD2 :: 6.862 HE1 :: 6.988 HE2 :: 6.988 HZ :: 7.153 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 :: 119.369 Ave N Shift Values>> N :: 120.69(4.18) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.49 C Shift Assignments>> C :: 175.667 CA :: 55.042 CB :: 31.301 CG :: 36.288 CD :: 183.039 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 :: 9.294 HA :: 4.574 HB2 :: 2.036 HB3 :: 1.851 HG2 :: 2.146 HG3 :: 1.968 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 :: 123.362 Ave N Shift Values>> N :: 120.68(3.68) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.505 CA :: 63.815 CB :: 31.714 CG1 :: 21.353 CG2 :: 19.381 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 :: 8.260 HA :: 3.988 HB :: 1.626 HG11 :: 0.660 HG12 :: 0.660 HG13 :: 0.660 HG21 :: 0.341 HG22 :: 0.341 HG23 :: 0.341 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 :: 127.466 Ave N Shift Values>> N :: 121.02(4.96) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.42 E 0.04 C Shift Assignments>> C :: 172.634 CA :: 56.019 CB :: 26.548 CG :: 33.756 CD :: 179.175 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 :: 8.539 HA :: 4.396 HB2 :: 2.350 HB3 :: 2.057 HG2 :: 2.347 HG3 :: 2.324 HE21 :: 6.929 HE22 :: 6.834 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 :: 132.285 NE2 :: 111.135 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 176.030 CA :: 65.273 CB :: 32.038 CG :: 28.224 CD :: 51.094 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 :: 4.182 HB2 :: 2.437 HB3 :: 1.874 HG2 :: 2.161 HG3 :: 1.921 HD2 :: 3.770 HD3 :: 3.608 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.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.41 Q 0.02 C Shift Assignments>> C :: 175.514 CA :: 55.022 CB :: 31.791 CG :: 34.867 CD :: 182.724 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 :: 10.212 HA :: 5.453 HB2 :: 2.134 HB3 :: 2.134 HG2 :: 2.500 HG3 :: 2.318 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 :: 127.838 Ave N Shift Values>> N :: 120.68(3.68) 1.T150 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>> C :: 173.472 CA :: 61.270 CB :: 71.106 CG2 :: 21.341 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 :: 8.959 HA :: 4.773 HB :: 4.061 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 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 :: 113.930 Ave N Shift Values>> N :: 115.7(5.05) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Y 0.34 F 0.23 G 0.02 C Shift Assignments>> C :: 174.209 CA :: 56.470 CB :: 42.237 CD1 :: 131.329 CD2 :: 131.329 CE1 :: 127.702 CE2 :: 127.702 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 :: 9.125 HA :: 5.515 HB2 :: 3.291 HB3 :: 2.916 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 6.852 HE2 :: 6.852 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 :: 127.789 Ave N Shift Values>> N :: 120.69(4.18) 1.T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 170.637 CA :: 61.095 CB :: 70.889 CG2 :: 21.227 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 :: 8.522 HA :: 3.967 HB :: 3.616 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 123.167 Ave N Shift Values>> N :: 115.7(5.05) 1.C153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.22 L 0.14 C 0.11 F 0.05 K 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 172.446 CA :: 52.662 CB :: 40.786 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.627 HA :: 3.937 HB2 :: 3.502 HB3 :: 3.256 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 :: 125.717 Ave N Shift Values>> N :: 119.95(4.79) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.45 Q 0.02 C Shift Assignments>> C :: 176.825 CA :: 59.542 CB :: 29.453 CG :: 36.060 CD :: 181.774 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 :: 7.605 HA :: 3.994 HB2 :: 1.853 HB3 :: 1.727 HG2 :: 1.986 HG3 :: 1.900 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 :: 128.404 Ave N Shift Values>> N :: 120.68(3.68) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.841 CA :: 57.304 CB :: 64.695 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.917 HA :: 4.691 HB2 :: 3.906 HB3 :: 3.539 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 :: 109.716 Ave N Shift Values>> N :: 116.3(3.95) 1.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 175.395 CA :: 60.108 CB :: 38.781 CG1 :: 26.250 CG2 :: 19.795 CD1 :: 15.195 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 :: 8.470 HA :: 4.726 HB :: 2.178 HG12 :: 1.378 HG13 :: 1.176 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.971 HD12 :: 0.971 HD13 :: 0.971 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.410 Ave N Shift Values>> N :: 121.6(4.72) 1.G157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.069 CA :: 46.235 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.142 HA2 :: 4.001 HA3 :: 3.844 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.240 Ave N Shift Values>> N :: 109.91(4.29) 1.E158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.33 C Shift Assignments>> C :: 173.027 CA :: 52.927 CB :: 29.605 CG :: 35.718 CD :: 184.276 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 :: 8.502 HA :: 4.784 HB2 :: 1.993 HB3 :: 1.924 HG2 :: 2.209 HG3 :: 2.209 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 :: 125.302 Ave N Shift Values>> N :: 120.68(3.68) 1.P159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.510 CA :: 63.388 CB :: 32.887 CG :: 27.477 CD :: 50.458 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 :: 4.686 HB2 :: 1.733 HB3 :: 1.987 HG2 :: 2.285 HG3 :: 2.152 HD2 :: 3.808 HD3 :: 3.691 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.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.34 R 0.16 M 0.03 C Shift Assignments>> C :: 175.664 CA :: 55.019 CB :: 32.925 CG :: 24.459 CD :: 28.661 CE :: 41.801 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 :: 8.542 HA :: 4.683 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 1.543 HG3 :: 1.407 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.851 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.01 C Shift Assignments>> C :: 175.577 CA :: 58.560 CB :: 39.643 CG1 :: 28.034 CG2 :: 17.943 CD1 :: 13.899 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 :: 8.732 HA :: 4.934 HB :: 1.811 HG12 :: 1.317 HG13 :: 1.216 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 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 :: 127.178 Ave N Shift Values>> N :: 121.6(4.72) 1.T162 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>> C :: 172.912 CA :: 61.185 CB :: 71.007 CG2 :: 21.277 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 :: 9.148 HA :: 4.515 HB :: 3.882 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 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 :: 122.417 Ave N Shift Values>> N :: 115.7(5.05) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.16 C 0.15 A 0.06 R 0.02 C Shift Assignments>> C :: 176.918 CA :: 52.128 CB :: 43.440 CG :: 26.917 CD1 :: 24.955 CD2 :: 23.067 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 :: 8.708 HA :: 5.369 HB2 :: 1.759 HB3 :: 1.454 HG :: 1.708 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 HD21 :: 1.012 HD22 :: 1.012 HD23 :: 1.012 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 :: 125.589 Ave N Shift Values>> N :: 121.98(4.07) 1.S164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 175.826 CA :: 58.579 CB :: 62.536 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.322 HA :: 4.410 HB2 :: 4.439 HB3 :: 4.182 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 :: 116.630 Ave N Shift Values>> N :: 116.3(3.95) 1.S165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.282 CA :: 61.754 CB :: 62.662 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.929 HA :: 4.292 HB2 :: 3.996 HB3 :: 3.996 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 :: 118.258 Ave N Shift Values>> N :: 116.3(3.95) 1.D166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 D 0.32 E 0.1 N 0.04 C Shift Assignments>> C :: 177.769 CA :: 56.341 CB :: 38.743 CG :: 179.508 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 :: 8.963 HA :: 4.382 HB2 :: 2.856 HB3 :: 2.771 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 :: 121.029 Ave N Shift Values>> N :: 120.73(4.2) 1.L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.4 R 0.09 K 0.03 C Shift Assignments>> C :: 177.474 CA :: 57.023 CB :: 41.163 CG :: 27.183 CD1 :: 27.245 CD2 :: 23.811 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 :: 7.701 HA :: 4.369 HB2 :: 2.094 HB3 :: 1.718 HG :: 1.430 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 124.849 Ave N Shift Values>> N :: 121.98(4.07) 1.S168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.24 V 0.24 I 0.2 P 0.13 C 0.03 F 0.03 Y 0.02 W 0.02 S 0.02 C Shift Assignments>> C :: 176.547 CA :: 62.271 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.625 HA :: 3.873 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 :: 114.386 Ave N Shift Values>> N :: 116.3(3.95) 1.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.284 CA :: 61.434 CB :: 62.598 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.207 HA :: 4.249 HB2 :: 3.999 HB3 :: 3.999 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 :: 115.071 Ave N Shift Values>> N :: 116.3(3.95) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.03 C Shift Assignments>> C :: 180.382 CA :: 55.097 CB :: 18.351 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.651 HA :: 4.169 HB1 :: 1.610 HB2 :: 1.610 HB3 :: 1.610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.447 Ave N Shift Values>> N :: 123.23(3.7) 1.L171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.07 A 0.03 G 0.01 C Shift Assignments>> C :: 179.573 CA :: 57.086 CB :: 42.043 CG :: 26.485 CD1 :: 25.556 CD2 :: 21.834 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 :: 8.099 HA :: 3.599 HB2 :: 1.781 HB3 :: 1.232 HG :: 1.457 HD11 :: 0.511 HD12 :: 0.511 HD13 :: 0.511 HD21 :: 0.154 HD22 :: 0.154 HD23 :: 0.154 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 :: 118.191 Ave N Shift Values>> N :: 121.98(4.07) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.46 Q 0.01 C Shift Assignments>> C :: 178.834 CA :: 58.916 CB :: 29.291 CG :: 36.087 CD :: 182.272 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 :: 8.221 HA :: 3.908 HB2 :: 2.147 HB3 :: 2.029 HG2 :: 2.386 HG3 :: 2.125 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 :: 120.618 Ave N Shift Values>> N :: 120.68(3.68) 1.K173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.13 V 0.04 M 0.04 Q 0.03 C Shift Assignments>> C :: 178.453 CA :: 58.526 CB :: 32.436 CG :: 24.971 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 :: 8.069 HA :: 4.146 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.606 HG3 :: 1.606 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 :: 119.293 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.47 C 0.43 G 0.08 HN Overlap>> 1.K32 1.Q25 1.K32 1.Q25 C Shift Assignments>> C :: 176.616 CA :: 56.359 CB :: 42.858 CG :: 179.153 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 :: 7.872 HA :: 4.642 HB2 :: 2.751 HB3 :: 2.681 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.261 Ave N Shift Values>> N :: 120.73(4.2) 1.S175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.253 CA :: 58.983 CB :: 64.213 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.813 HA :: 4.446 HB2 :: 4.010 HB3 :: 4.010 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 :: 112.284 Ave N Shift Values>> N :: 116.3(3.95) 1.G176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.834 CA :: 45.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.090 HA2 :: 4.138 HA3 :: 3.857 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.524 Ave N Shift Values>> N :: 109.91(4.29) 1.N177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.28 C 0.16 HN Overlap>> 1.D38 1.D38 1.Y130 1.Y130 C Shift Assignments>> C :: 174.416 CA :: 52.751 CB :: 39.073 CG :: 176.916 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 :: 8.247 HA :: 4.724 HB2 :: 2.742 HB3 :: 2.879 HD21 :: 7.450 HD22 :: 6.868 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.068 ND2 :: 112.523 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.29 C 0.21 C Shift Assignments>> C :: 174.243 CA :: 53.640 CB :: 38.865 CG :: 177.142 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 :: 8.264 HA :: 4.636 HB2 :: 2.862 HB3 :: 2.752 HD21 :: 7.555 HD22 :: 6.833 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 :: 117.785 ND2 :: 112.757 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.298 CA :: 57.784 CB :: 64.123 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.859 HA :: 4.445 HB2 :: 3.768 HB3 :: 3.768 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 :: 112.675 Ave N Shift Values>> N :: 116.3(3.95) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.25 R 0.02 A 0.02 HN Overlap>> 1.I204 1.T152 1.I204 1.T152 C Shift Assignments>> C :: 176.161 CA :: 54.272 CB :: 41.485 CG :: 26.750 CD1 :: 25.162 CD2 :: 23.521 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 :: 8.464 HA :: 4.425 HB2 :: 1.621 HB3 :: 1.506 HG :: 1.645 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 123.239 Ave N Shift Values>> N :: 121.98(4.07) 1.E181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.47 Q 0.01 C Shift Assignments>> C :: 176.057 CA :: 53.576 CB :: 30.078 CG :: 35.521 CD :: 182.932 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 :: 8.100 HA :: 4.672 HB2 :: 2.197 HB3 :: 1.800 HG2 :: 2.348 HG3 :: 2.242 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.050 Ave N Shift Values>> N :: 120.68(3.68) 1.P182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 175.935 CA :: 64.747 CB :: 31.702 CG :: 27.198 CD :: 50.717 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 :: 4.198 HB2 :: 2.210 HB3 :: 1.913 HG2 :: 2.025 HG3 :: 2.025 HD2 :: 3.889 HD3 :: 3.828 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.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.64 C 0.33 N 0.02 C Shift Assignments>> C :: 175.168 CA :: 53.504 CB :: 40.396 CG :: 180.559 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 :: 8.144 HA :: 4.711 HB2 :: 2.744 HB3 :: 2.644 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 :: 114.441 Ave N Shift Values>> N :: 120.73(4.2) 1.M184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.32 C 0.27 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> C :: 176.214 CA :: 53.669 CB :: 34.746 CG :: 32.264 CE :: 17.208 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 :: 7.696 HA :: 4.710 HB2 :: 2.056 HB3 :: 2.213 HG2 :: 2.644 HG3 :: 2.578 HE1 :: 2.164 HE2 :: 2.164 HE3 :: 2.164 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 :: 118.837 Ave N Shift Values>> N :: 120.1(3.88) 1.E185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.29 E 0.15 C Shift Assignments>> C :: 176.834 CA :: 54.529 CB :: 28.025 CG :: 33.350 CD :: 181.699 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 :: 8.831 HA :: 4.981 HB2 :: 1.738 HB3 :: 1.738 HG2 :: 2.347 HG3 :: 2.294 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 :: 120.932 Ave N Shift Values>> N :: 120.68(3.68) 1.P186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.73 P 0.21 G 0.04 C Shift Assignments>> C :: 175.628 CA :: 63.063 CB :: 33.754 CG :: 24.576 CD :: 48.725 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 :: 5.447 HB2 :: 2.134 HB3 :: 2.011 HG2 :: 1.809 HG3 :: 1.510 HD2 :: 3.565 HD3 :: 3.475 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.L187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.47 R 0.01 C Shift Assignments>> C :: 178.026 CA :: 58.565 CB :: 40.500 CG :: 27.691 CD1 :: 24.461 CD2 :: 23.586 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 :: 8.131 HA :: 3.977 HB2 :: 1.660 HB3 :: 1.891 HG :: 1.636 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 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 :: 126.288 Ave N Shift Values>> N :: 121.98(4.07) 1.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 178.850 CA :: 60.369 CB :: 31.779 CG :: 24.296 CD :: 29.358 CE :: 41.716 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 :: 8.140 HA :: 3.978 HB2 :: 1.482 HB3 :: 1.421 HG2 :: 1.382 HG3 :: 1.318 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.089 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.508 CA :: 68.006 CB :: 67.133 CG2 :: 22.573 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 :: 7.840 HA :: 4.144 HB :: 4.183 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 117.570 Ave N Shift Values>> N :: 115.7(5.05) 1.L190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 R 0.04 HN Overlap>> 1.E28 1.D5 1.E28 1.D5 C Shift Assignments>> C :: 175.608 CA :: 57.509 CB :: 41.565 CG :: 26.567 CD1 :: 25.343 CD2 :: 23.882 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 :: 7.986 HA :: 3.994 HB2 :: 2.241 HB3 :: 2.241 HG :: 1.944 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.023 Ave N Shift Values>> N :: 121.98(4.07) 1.R191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.16 G 0.08 C Shift Assignments>> C :: 174.651 CA :: 55.957 CB :: 31.503 CG :: 28.196 CD :: 43.530 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 :: 7.771 HA :: 4.436 HB2 :: 1.970 HB3 :: 1.899 HG2 :: 1.774 HG3 :: 1.774 HD2 :: 3.312 HD3 :: 3.215 HE :: 7.461 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.508 NE :: 83.862 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.Q192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.4 E 0.18 C Shift Assignments>> C :: 175.550 CA :: 57.590 CB :: 29.300 CG :: 33.840 CD :: 179.752 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 :: 7.494 HA :: 4.540 HB2 :: 2.185 HB3 :: 2.185 HG2 :: 2.384 HG3 :: 2.328 HE21 :: 7.371 HE22 :: 6.895 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.334 NE2 :: 111.407 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.27 I 0.05 C 0.04 V 0.01 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 180.252 CA :: 55.845 CB :: 18.551 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.495 HA :: 4.188 HB1 :: 1.607 HB2 :: 1.607 HB3 :: 1.607 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.328 Ave N Shift Values>> N :: 123.23(3.7) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 178.351 CA :: 55.404 CB :: 18.593 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.931 HA :: 4.050 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.152 Ave N Shift Values>> N :: 123.23(3.7) 1.I195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 178.260 CA :: 63.798 CB :: 35.477 CG1 :: 28.309 CG2 :: 17.610 CD1 :: 11.136 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.084 HA :: 3.578 HB :: 2.055 HG12 :: 1.632 HG13 :: 1.182 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.106 Ave N Shift Values>> N :: 121.6(4.72) 1.C196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.22 Y 0.19 F 0.11 I 0.08 M 0.04 N 0.02 K 0.02 D 0.01 C Shift Assignments>> C :: 176.971 CA :: 57.579 CB :: 37.145 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.941 HA :: 4.694 HB2 :: 3.400 HB3 :: 3.065 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.640 Ave N Shift Values>> N :: 119.95(4.79) 1.K197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.29 M 0.01 HN Overlap>> 1.C18 1.C18 C Shift Assignments>> C :: 178.959 CA :: 57.807 CB :: 31.456 CG :: 24.579 CD :: 27.948 CE :: 41.879 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 :: 8.044 HA :: 4.329 HB2 :: 2.017 HB3 :: 1.907 HG2 :: 1.697 HG3 :: 1.594 HD2 :: 1.844 HD3 :: 1.844 HE2 :: 3.110 HE3 :: 3.110 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 :: 121.175 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.955 CA :: 65.736 CB :: 38.369 CG1 :: 29.567 CG2 :: 17.336 CD1 :: 13.217 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 :: 8.297 HA :: 3.389 HB :: 1.762 HG12 :: 1.607 HG13 :: 0.223 HG21 :: 0.646 HG22 :: 0.646 HG23 :: 0.646 HD11 :: 0.184 HD12 :: 0.184 HD13 :: 0.184 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 :: 122.128 Ave N Shift Values>> N :: 121.6(4.72) 1.A199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.07 C 0.02 C Shift Assignments>> C :: 178.173 CA :: 55.832 CB :: 17.435 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.154 HA :: 3.996 HB1 :: 1.707 HB2 :: 1.707 HB3 :: 1.707 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.554 Ave N Shift Values>> N :: 123.23(3.7) 1.E200 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 E 0.43 C Shift Assignments>> C :: 177.267 CA :: 59.584 CB :: 29.472 CG :: 35.662 CD :: 184.276 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 :: 8.279 HA :: 2.213(S) HB2 :: 2.013 HB3 :: 1.923 HG2 :: 2.209 HG3 :: 2.209 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 :: 120.410 Ave N Shift Values>> N :: 120.68(3.68) 1.A201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 180.873 CA :: 55.275 CB :: 17.279 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.335 HA :: 4.085 HB1 :: 1.536 HB2 :: 1.536 HB3 :: 1.536 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.473 Ave N Shift Values>> N :: 123.23(3.7) 1.C202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 I 0.41 C 0.08 R 0.02 W 0.02 C Shift Assignments>> C :: 176.993 CA :: 62.759 CB :: 26.536 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.996 HA :: 4.031 HB2 :: 3.662 HB3 :: 2.404 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.436 Ave N Shift Values>> N :: 119.95(4.79) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 178.403 CA :: 63.262 CB :: 37.689 CD1 :: 132.402 CD2 :: 132.402 CE1 :: 116.678 CE2 :: 116.678 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 :: 8.626 HA :: 3.883 HB2 :: 2.743 HB3 :: 2.541 HD1 :: 7.194 HD2 :: 7.194 HE1 :: 6.706 HE2 :: 6.706 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 :: 119.225 Ave N Shift Values>> N :: 120.79(4.69) 1.I204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 180.315 CA :: 65.729 CB :: 37.876 CG1 :: 29.115 CG2 :: 16.942 CD1 :: 13.508 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 :: 8.528 HA :: 3.963 HB :: 2.088 HG12 :: 1.921 HG13 :: 1.274 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 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 :: 123.309 Ave N Shift Values>> N :: 121.6(4.72) 1.S205 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 :: 174.975 CA :: 63.369 CB :: 62.798 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.319 HA :: 4.548 HB2 :: 4.287 HB3 :: 3.912 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 :: 117.951 Ave N Shift Values>> N :: 116.3(3.95) 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 179.124 CA :: 66.649 CB :: 32.162 CG1 :: 23.079 CG2 :: 20.178 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 :: 7.850 HA :: 3.543 HB :: 2.196 HG11 :: 0.807 HG12 :: 0.807 HG13 :: 0.807 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 121.281 Ave N Shift Values>> N :: 121.02(4.96) 1.V207 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>> C :: 177.185 CA :: 66.378 CB :: 30.313 CG1 :: 25.149 CG2 :: 22.287 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 :: 8.890 HA :: 3.554 HB :: 2.136 HG11 :: 1.222 HG12 :: 1.222 HG13 :: 1.222 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.215 Ave N Shift Values>> N :: 121.02(4.96) 1.H208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 W 0.34 H 0.28 C Shift Assignments>> C :: 176.093 CA :: 60.112 CB :: 26.946 CD2 :: 120.223 CE1 :: 134.359 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 :: 8.489 HA :: 3.749 HB2 :: 3.050 HB3 :: 2.775 HD2 :: 6.564 HE1 :: 8.256 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.200 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.18 N 0.15 Y 0.13 F 0.07 M 0.06 D 0.03 K 0.02 I 0.02 C Shift Assignments>> C :: 178.812 CA :: 55.252 CB :: 36.986 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 :: 7.614 HA :: 4.423 HB2 :: 3.181 HB3 :: 2.736 HD21 :: 8.925 HD22 :: 8.628 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 :: 117.796 ND2 :: 113.919 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 176.534 CA :: 66.797 CB :: 37.990 CG1 :: 28.516 CG2 :: 17.310 CD1 :: 12.671 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.532 HA :: 3.398 HB :: 1.822 HG12 :: 2.007 HG13 :: 0.762 HG21 :: 0.560 HG22 :: 0.560 HG23 :: 0.560 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 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 :: 124.187 Ave N Shift Values>> N :: 121.6(4.72) 1.R211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.08 C Shift Assignments>> C :: 178.360 CA :: 59.691 CB :: 30.031 CG :: 28.045 CD :: 43.371 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 :: 8.316 HA :: 3.480 HB2 :: 1.809 HB3 :: 1.404 HG2 :: 1.680 HG3 :: 1.680 HD2 :: 3.377 HD3 :: 3.174 HE :: 6.143 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 :: 121.049 NE :: 82.998 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.01 HN Overlap>> 1.L27 1.L27 1.V124 1.V124 C Shift Assignments>> C :: 181.415 CA :: 54.684 CB :: 18.797 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.008 HA :: 3.999 HB1 :: 1.235 HB2 :: 1.235 HB3 :: 1.235 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.832 Ave N Shift Values>> N :: 123.23(3.7) 1.S213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.747 CA :: 62.675 CB :: 62.323 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.130 HA :: 4.011 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 :: 115.384 Ave N Shift Values>> N :: 116.3(3.95) 1.A214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 178.530 CA :: 53.535 CB :: 17.666 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.392 HA :: 4.656 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.481 Ave N Shift Values>> N :: 123.23(3.7) 1.K215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.15 M 0.02 C Shift Assignments>> C :: 177.284 CA :: 58.312 CB :: 32.852 CG :: 24.922 CD :: 29.074 CE :: 41.801 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 :: 7.349 HA :: 4.157 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 1.668 HG3 :: 1.447 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.977 HE3 :: 2.977 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 :: 116.096 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.577 CA :: 60.997 CB :: 39.042 CG1 :: 26.582 CG2 :: 17.570 CD1 :: 12.048 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.003 HA :: 4.159 HB :: 1.789 HG12 :: 1.270 HG13 :: 1.270 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 HD11 :: 0.470 HD12 :: 0.470 HD13 :: 0.470 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 :: 112.822 Ave N Shift Values>> N :: 121.6(4.72) 1.L217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.18 A 0.09 R 0.03 G 0.01 C Shift Assignments>> C :: 174.761 CA :: 52.389 CB :: 41.889 CG :: 26.965 CD1 :: 25.688 CD2 :: 22.787 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 :: 8.347 HA :: 4.801 HB2 :: 1.811 HB3 :: 1.325 HG :: 1.717 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 123.223 Ave N Shift Values>> N :: 121.98(4.07) 1.P218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.026 CA :: 62.067 CB :: 31.859 CG :: 27.510 CD :: 50.274 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 :: 3.861 HB2 :: 1.953 HB3 :: 2.177 HG2 :: 2.054 HG3 :: 2.054 HD2 :: 3.675 HD3 :: 3.675 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.A219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.25 I 0.06 C 0.02 C Shift Assignments>> C :: 179.274 CA :: 55.570 CB :: 17.537 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.810 HA :: 4.286 HB1 :: 0.680 HB2 :: 0.680 HB3 :: 0.680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.695 Ave N Shift Values>> N :: 123.23(3.7) 1.S220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.896 CA :: 59.057 CB :: 62.469 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.257 HA :: 4.649 HB2 :: 4.105 HB3 :: 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 :: 110.423 Ave N Shift Values>> N :: 116.3(3.95) 1.S221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.879 CA :: 61.110 CB :: 62.755 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.003 HA :: 4.162 HB2 :: 3.676 HB3 :: 3.566 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 :: 117.533 Ave N Shift Values>> N :: 116.3(3.95) 1.F222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 C Shift Assignments>> C :: 175.723 CA :: 58.848 CB :: 40.947 CD1 :: 131.968 CD2 :: 131.968 CE1 :: 129.987 CE2 :: 129.987 CZ :: 128.903 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.547 HA :: 4.096 HB2 :: 3.181 HB3 :: 2.076 HD1 :: 7.124 HD2 :: 7.124 HE1 :: 6.846 HE2 :: 6.846 HZ :: 6.950 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 :: 114.246 Ave N Shift Values>> N :: 120.69(4.18) 1.F223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 G 0.26 F 0.23 Y 0.22 C Shift Assignments>> C :: 175.070 CA :: 54.889 CB :: 43.731 CD1 :: 132.172 CD2 :: 132.172 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.143 HA :: 6.146 HB2 :: 3.205 HB3 :: 2.604 HD1 :: 7.178 HD2 :: 7.178 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 :: 111.122 Ave N Shift Values>> N :: 120.69(4.18) 1.E224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.48 Q 0.01 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 175.903 CA :: 56.174 CB :: 31.430 CG :: 36.018 CD :: 182.150 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 :: 7.970 HA :: 4.370 HB2 :: 1.975 HB3 :: 1.861 HG2 :: 2.079 HG3 :: 2.079 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 :: 119.895 Ave N Shift Values>> N :: 120.68(3.68) 1.N225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.26 D 0.24 E 0.01 C Shift Assignments>> C :: 174.087 CA :: 52.970 CB :: 37.893 CG :: 178.132 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 :: 8.426 HA :: 4.725 HB2 :: 2.877 HB3 :: 2.877 HD21 :: 7.659 HD22 :: 7.029 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 :: 116.559 ND2 :: 112.041 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.02 C Shift Assignments>> C :: 175.764 CA :: 55.499 CB :: 42.319 CG :: 26.888 CD1 :: 24.582 CD2 :: 25.351 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 :: 8.092 HA :: 4.257 HB2 :: 1.654 HB3 :: 1.524 HG :: 1.633 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 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 :: 120.591 Ave N Shift Values>> N :: 121.98(4.07) 1.N227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.53 C 0.23 N 0.23 C Shift Assignments>> C :: 179.020 CA :: 54.452 CB :: 40.532 CG :: 178.159 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 :: 7.791 HA :: 4.429 HB2 :: 2.739 HB3 :: 2.658 HD21 :: 7.402 HD22 :: 6.756 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 :: 124.329 ND2 :: 112.628 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.JH31 Overall Status: Residue type JH3 not supported. ########################################################################### Overall Results: #Consistent: 217 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 227 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 227 #Suspicious: 0 C Shift Results: #Consistent:1048 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1601 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 241 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.D38 CG = 181.689(A), Expected = 178.41, Std = 1.8400, ChiSquare = 7.4739e-02 1.W40 N = 138.107(A), Expected = 121.87, Std = 4.5800, ChiSquare = 3.9232e-04 1.D51 HA = 5.697(S), Expected = 4.61, Std = 0.3100, ChiSquare = 4.5412e-04 1.G71 HA2 = 5.341(S), Expected = 3.95, Std = 0.4000, ChiSquare = 5.0611e-04 1.K73 H = 10.482(S), Expected = 8.22, Std = 0.6400, ChiSquare = 4.0874e-04 1.K87 HD3 = 0.563(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.8142e-05 1.V89 HB = 0.798(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.0370e-04 1.K92 HA = 5.881(S), Expected = 4.28, Std = 0.4500, ChiSquare = 3.7401e-04 1.D121 HA = 5.938(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.8367e-05 1.E200 HA = 2.213(S), Expected = 4.26, Std = 0.4300, ChiSquare = 1.9315e-06