Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 175.855 CA :: 56.380 CB :: 33.240 CG :: 24.80 CD :: 29.22 CE :: 42.31 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>> HA :: 4.320 HB2 :: 1.793 HB3 :: 1.756 HG2 :: 1.440 HG3 :: 1.402 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.087 CA :: 56.32 CB :: 33.27 CG :: 24.86 CD :: 29.25 CE :: 42.21 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 :: 8.418 HA :: 4.285 HB2 :: 1.783 HB3 :: 1.725 HG2 :: 1.438 HG3 :: 1.384 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.993 HE3 :: 2.993 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 :: 124.030 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.07 G 0.02 C Shift Assignments>> C :: 177.125 CA :: 55.103 CB :: 42.386 CG :: 27.06 CD1 :: 24.95 CD2 :: 24.01 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 :: 8.353 HA :: 4.403 HB2 :: 1.620 HB3 :: 1.589 HG :: 1.595 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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 :: 124.982 Ave N Shift Values>> N :: 121.98(4.07) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.176 CA :: 62.315 CB :: 32.833 CG1 :: 21.120 CG2 :: 20.782 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 :: 8.249 HA :: 4.176 HB :: 2.060 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 122.438 Ave N Shift Values>> N :: 121.02(4.96) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.E138 1.E138 1.W79 1.W79 C Shift Assignments>> C :: 174.132 CA :: 61.542 CB :: 69.83 CG2 :: 21.8 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 :: 8.200 HA :: 4.355 HB :: 4.214 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 118.316 Ave N Shift Values>> N :: 115.7(5.05) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 L 0.01 C Shift Assignments>> C :: 177.820 CA :: 52.698 CB :: 19.481 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.362 HA :: 4.392 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.596 Ave N Shift Values>> N :: 123.23(3.7) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.793 CA :: 62.02 CB :: 69.70 CG2 :: 21.86 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 :: 8.177 HA :: 4.378 HB :: 4.215 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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 :: 113.489 Ave N Shift Values>> N :: 115.7(5.05) 1.T9 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 :: 174.557 CA :: 62.00 CB :: 69.700 CG2 :: 21.62 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 :: 8.104 HA :: 4.354 HB :: 4.218 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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 :: 116.586 Ave N Shift Values>> N :: 115.7(5.05) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.567 CA :: 55.518 CB :: 42.307 CG :: 27.048 CD1 :: 24.949 CD2 :: 23.56 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 :: 8.295 HA :: 4.419 HB2 :: 1.669 HB3 :: 1.609 HG :: 1.608 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.847 HD22 :: 0.847 HD23 :: 0.847 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 :: 124.691 Ave N Shift Values>> N :: 121.98(4.07) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.S121 1.S121 1.S84 1.S84 C Shift Assignments>> C :: 174.228 CA :: 61.65 CB :: 69.76 CG2 :: 21.62 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 :: 8.061 HA :: 4.31 HB :: 4.214 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 114.776 Ave N Shift Values>> N :: 115.7(5.05) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 L 0.01 C Shift Assignments>> C :: 178.037 CA :: 52.810 CB :: 19.388 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.244 HA :: 4.329 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.296 Ave N Shift Values>> N :: 123.23(3.7) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.233 CA :: 45.274 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.315 HA2 :: 3.948 HA3 :: 3.948 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.132 Ave N Shift Values>> N :: 109.91(4.29) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.964 CA :: 61.433 CB :: 38.700 CG1 :: 27.264 CG2 :: 17.538 CD1 :: 13.087 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 :: 7.987 HA :: 4.194 HB :: 1.881 HG12 :: 1.442 HG13 :: 1.171 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 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 :: 119.749 Ave N Shift Values>> N :: 121.6(4.72) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.849 CA :: 45.322 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.500 HA2 :: 3.928 HA3 :: 3.928 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.858 Ave N Shift Values>> N :: 109.91(4.29) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.02 C Shift Assignments>> C :: 177.361 CA :: 52.381 CB :: 19.441 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.037 HA :: 4.299 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.787 Ave N Shift Values>> N :: 123.23(3.7) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> C :: 177.585 CA :: 52.452 CB :: 19.047 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.195 HA :: 4.302 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.105 Ave N Shift Values>> N :: 123.23(3.7) 1.I18 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 :: 176.279 CA :: 61.087 CB :: 38.59 CG1 :: 27.349 CG2 :: 17.598 CD1 :: 12.729 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 :: 8.079 HA :: 4.157 HB :: 1.826 HG12 :: 1.473 HG13 :: 1.167 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.416 Ave N Shift Values>> N :: 121.6(4.72) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.419 CA :: 62.420 CB :: 32.801 CG1 :: 21.202 CG2 :: 20.610 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 :: 8.253 HA :: 4.106 HB :: 2.043 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 125.274 Ave N Shift Values>> N :: 121.02(4.96) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.976 CA :: 45.184 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.444 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.489 Ave N Shift Values>> N :: 109.91(4.29) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.05 G 0.03 A 0.01 C Shift Assignments>> C :: 177.092 CA :: 55.134 CB :: 42.528 CG :: 26.807 CD1 :: 24.701 CD2 :: 23.814 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 :: 8.079 HA :: 4.316 HB2 :: 1.537 HB3 :: 1.555 HG :: 1.560 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 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 :: 121.614 Ave N Shift Values>> N :: 121.98(4.07) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 N 0.11 C 0.11 K 0.1 F 0.08 Y 0.07 R 0.02 HN Overlap>> 1.E157 1.Y88 1.E157 1.Y88 1.N37 1.N37 C Shift Assignments>> C :: 176.089 CA :: 54.16 CB :: 41.002 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 :: 8.362 HA :: 4.552 HB2 :: 2.653 HB3 :: 2.591 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 :: 120.648 Ave N Shift Values>> N :: 120.73(4.2) 1.H23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 C 0.12 W 0.12 E 0.12 Q 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 175.386 CA :: 55.811 CB :: 30.43 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 :: 8.322 HA :: 4.656 HB2 :: 3.200 HB3 :: 3.085 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 :: 119.324 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.995 CA :: 45.539 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.528 HA2 :: 3.963 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.810 Ave N Shift Values>> N :: 109.91(4.29) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 175.530 CA :: 53.25 CB :: 39.08 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 :: 8.424 HA :: 4.740 HB2 :: 2.842 HB3 :: 2.747 HD21 :: 7.621 HD22 :: 6.907 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 :: 118.866 ND2 :: 113.0 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 I 0.07 M 0.07 Q 0.03 C Shift Assignments>> C :: 176.566 CA :: 57.187 CB :: 29.99 CG :: 36.380 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.555 HA :: 4.231 HB2 :: 2.060 HB3 :: 1.961 HG2 :: 2.299 HG3 :: 2.258 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.657 Ave N Shift Values>> N :: 120.68(3.68) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 C Shift Assignments>> C :: 177.705 CA :: 52.880 CB :: 19.108 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.296 HA :: 4.268 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.260 Ave N Shift Values>> N :: 123.23(3.7) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.12 C 0.11 N 0.09 F 0.09 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.324 CA :: 54.499 CB :: 41.070 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 :: 8.195 HA :: 4.536 HB2 :: 2.690 HB3 :: 2.608 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 :: 119.445 Ave N Shift Values>> N :: 120.73(4.2) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 C Shift Assignments>> C :: 177.752 CA :: 52.844 CB :: 19.172 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.108 HA :: 4.273 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.496 Ave N Shift Values>> N :: 123.23(3.7) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 178.068 CA :: 52.812 CB :: 19.097 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.212 HA :: 4.263 HB1 :: 1.393 HB2 :: 1.393 HB3 :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.764 Ave N Shift Values>> N :: 123.23(3.7) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.687 CA :: 56.785 CB :: 30.149 CG :: 36.339 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 :: 8.246 HA :: 4.239 HB2 :: 2.051 HB3 :: 1.954 HG2 :: 2.275 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 :: 119.559 Ave N Shift Values>> N :: 120.68(3.68) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.1 M 0.09 R 0.04 C Shift Assignments>> C :: 176.234 CA :: 55.835 CB :: 29.463 CG :: 33.730 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 :: 8.335 HA :: 4.392 HB2 :: 2.128 HB3 :: 1.992 HG2 :: 2.377 HG3 :: 2.377 HE21 :: 7.529 HE22 :: 6.852 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 :: 121.080 NE2 :: 112.58 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T33 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 :: 174.351 CA :: 62.02 CB :: 69.81 CG2 :: 21.70 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 :: 8.181 HA :: 4.311 HB :: 4.162 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 115.718 Ave N Shift Values>> N :: 115.7(5.05) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.25 R 0.06 M 0.06 E 0.05 C Shift Assignments>> C :: 174.021 CA :: 53.68 CB :: 28.84 CG :: 33.55 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 :: 8.390 HA :: 4.649 HB2 :: 2.096 HB3 :: 1.937 HG2 :: 2.395 HG3 :: 2.395 HE21 :: 7.529 HE22 :: 6.852 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 :: 123.774 NE2 :: 112.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.198 CA :: 63.235 CB :: 32.175 CG :: 27.496 CD :: 50.706 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 :: 4.494 HB2 :: 2.309 HB3 :: 1.928 HG2 :: 2.029 HG3 :: 2.008 HD2 :: 3.797 HD3 :: 3.663 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.513 CA :: 61.86 CB :: 69.808 CG2 :: 21.80 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 :: 8.290 HA :: 4.335 HB :: 4.220 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 114.167 Ave N Shift Values>> N :: 115.7(5.05) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.18 C 0.16 Y 0.08 F 0.07 L 0.03 E 0.01 HN Overlap>> 1.E157 1.D22 1.Q38 1.E157 1.D22 1.Q38 C Shift Assignments>> C :: 175.164 CA :: 53.283 CB :: 38.778 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 :: 8.452 HA :: 4.706 HB2 :: 2.847 HB3 :: 2.792 HD21 :: 7.599 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 :: 120.714 ND2 :: 112.881 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.09 R 0.04 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 176.085 CA :: 55.976 CB :: 29.521 CG :: 33.80 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 :: 8.392 HA :: 4.376 HB2 :: 2.130 HB3 :: 1.980 HG2 :: 2.350 HG3 :: 2.350 HE21 :: 7.497 HE22 :: 6.835 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 :: 120.788 NE2 :: 112.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.004 CA :: 58.522 CB :: 63.844 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.427 HA :: 4.516 HB2 :: 3.901 HB3 :: 3.871 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 :: 117.329 Ave N Shift Values>> N :: 116.3(3.95) 1.T40 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 :: 174.912 CA :: 61.895 CB :: 69.689 CG2 :: 22.35 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 :: 8.240 HA :: 4.437 HB :: 4.309 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 115.597 Ave N Shift Values>> N :: 115.7(5.05) 1.T41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.588 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 :: 8.148 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 :: 116.235 Ave N Shift Values>> N :: 115.7(5.05) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 K 0.12 W 0.12 E 0.12 R 0.11 C 0.11 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.L156 1.L156 C Shift Assignments>> C :: 176.086 CA :: 55.916 CB :: 29.520 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 :: 8.385 HA :: 4.377 HB2 :: 2.195 HB3 :: 1.960 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 :: 122.879 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.977 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.415 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 :: 117.005 Ave N Shift Values>> N :: 116.3(3.95) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.23 T 0.21 V 0.19 P 0.08 C 0.05 F 0.05 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 174.775 CA :: 61.700 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>> HA :: 4.426 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H109 1.H109 C Shift Assignments>> C :: 175.062 CA :: 58.670 CB :: 64.001 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.340 HA :: 4.494 HB2 :: 3.850 HB3 :: 3.923 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 :: 117.787 Ave N Shift Values>> N :: 116.3(3.95) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.250 CA :: 45.343 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.442 HA2 :: 4.012 HA3 :: 4.012 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.122 Ave N Shift Values>> N :: 109.91(4.29) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.000 CA :: 58.391 CB :: 64.156 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 HA :: 4.498 HB2 :: 3.933 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 :: 115.906 Ave N Shift Values>> N :: 116.3(3.95) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.305 CA :: 58.611 CB :: 63.899 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.458 HA :: 4.478 HB2 :: 3.943 HB3 :: 3.887 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 :: 118.039 Ave N Shift Values>> N :: 116.3(3.95) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 176.112 CA :: 52.351 CB :: 19.430 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.191 HA :: 4.280 HB1 :: 1.340 HB2 :: 1.340 HB3 :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.773 Ave N Shift Values>> N :: 123.23(3.7) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.18 D 0.12 Y 0.06 F 0.04 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 175.636 CA :: 52.399 CB :: 38.153 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 :: 8.197 HA :: 3.756 HB2 :: 3.173 HB3 :: 2.544 HD21 :: 7.004 HD22 :: 6.161 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 :: 117.931 ND2 :: 109.703 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.25 A 0.12 R 0.01 C Shift Assignments>> C :: 177.810 CA :: 54.213 CB :: 41.275 CG :: 26.528 CD1 :: 25.070 CD2 :: 22.212 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.382 HA :: 4.245 HB2 :: 1.449 HB3 :: 1.262 HG :: 1.415 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.661 HD22 :: 0.661 HD23 :: 0.661 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 :: 125.584 Ave N Shift Values>> N :: 121.98(4.07) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 I 0.21 Y 0.21 E 0.14 F 0.14 M 0.01 C Shift Assignments>> C :: 174.972 CA :: 59.464 CB :: 37.415 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 :: 7.811 HA :: 4.376 HB2 :: 3.484 HB3 :: 2.937 HD1 :: 7.185 HD2 :: 7.185 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.900 Ave N Shift Values>> N :: 120.79(4.69) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 173.232 CA :: 64.279 CB :: 69.272 CG2 :: 22.000 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 :: 8.233 HA :: 3.732 HB :: 3.713 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 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 :: 118.082 Ave N Shift Values>> N :: 115.7(5.05) 1.A54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.6 M 0.37 C 0.01 C Shift Assignments>> C :: 177.242 CA :: 52.835 CB :: 17.021 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.187 HA :: 1.694(A) HB1 :: 0.896 HB2 :: 0.896 HB3 :: 0.896 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.467 Ave N Shift Values>> N :: 123.23(3.7) 1.G55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.203 CA :: 43.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.120(S) HA2 :: 2.322(S) HA3 :: 2.261(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.331 Ave N Shift Values>> N :: 109.91(4.29) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 M 0.17 E 0.16 K 0.14 R 0.01 C Shift Assignments>> C :: 176.435 CA :: 54.531 CB :: 30.259 CG :: 34.55 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 :: 7.204 HA :: 4.439 HB2 :: 2.431 HB3 :: 2.237 HG2 :: 2.244 HG3 :: 2.090 HE21 :: 7.684 HE22 :: 6.820 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.618 NE2 :: 113.412 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.14 R 0.13 W 0.1 K 0.08 Q 0.07 E 0.06 H 0.05 L 0.03 P 0.03 C Shift Assignments>> C :: 176.824 CA :: 59.950 CB :: 27.625 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.318 HA :: 4.605 HB2 :: 3.884 HB3 :: 3.444 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.148 Ave N Shift Values>> N :: 119.95(4.79) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.16 S 0.01 C Shift Assignments>> C :: 174.261 CA :: 61.769 CB :: 67.916 CG2 :: 22.887 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 :: 7.306 HA :: 3.181 HB :: 3.794 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 113.715 Ave N Shift Values>> N :: 115.7(5.05) 1.W59 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 H 0.18 W 0.05 C Shift Assignments>> C :: 178.058 CA :: 60.823 CB :: 30.183 CD1 :: 130.934(A) CE3 :: 118.579 CZ2 :: 116.177 CZ3 :: 122.482 CH2 :: 125.218 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 :: 6.666 HA :: 4.330 HB2 :: 3.490 HB3 :: 3.094 HD1 :: 7.359 HE1 :: 10.695 HE3 :: 7.670 HZ2 :: 7.748 HZ3 :: 7.243 HH2 :: 7.521 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 :: 123.659 NE1 :: 133.403 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.29 F 0.2 C Shift Assignments>> C :: 177.156 CA :: 60.654 CB :: 40.891 CD1 :: 133.435 CD2 :: 133.435 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 :: 7.715 HA :: 4.107 HB2 :: 3.905 HB3 :: 2.776 HD1 :: 7.268 HD2 :: 7.268 HE1 :: 6.777 HE2 :: 6.777 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.787 Ave N Shift Values>> N :: 120.79(4.69) 1.V61 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 :: 176.363 CA :: 67.422 CB :: 31.173 CG1 :: 24.595 CG2 :: 24.700 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 :: 7.460 HA :: 3.060 HB :: 2.021 HG11 :: 1.110 HG12 :: 1.110 HG13 :: 1.110 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.886 Ave N Shift Values>> N :: 121.02(4.96) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 176.488 CA :: 62.951 CB :: 38.106 CD1 :: 133.462 CD2 :: 133.462 CE1 :: 117.859 CE2 :: 117.859 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 :: 8.346 HA :: 3.591 HB2 :: 3.034 HB3 :: 2.951 HD1 :: 6.844 HD2 :: 6.844 HE1 :: 6.450 HE2 :: 6.450 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 :: 118.373 Ave N Shift Values>> N :: 120.79(4.69) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.16 K 0.15 L 0.14 C 0.14 D 0.11 I 0.03 R 0.03 N 0.01 C Shift Assignments>> C :: 179.598 CA :: 57.036 CB :: 40.918 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.964 HA :: 4.222 HB2 :: 2.281 HB3 :: 2.021 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.987 Ave N Shift Values>> N :: 120.73(4.2) 1.K64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.38 K 0.19 L 0.01 C Shift Assignments>> C :: 178.427 CA :: 57.200 CB :: 30.791 CG :: 23.370 CD :: 26.772 CE :: 42.051 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 :: 7.918 HA :: 3.648 HB2 :: 1.114 HB3 :: 0.784(S) HG2 :: 0.441(S) HG3 :: 0.069(S) HD2 :: 1.182 HD3 :: 1.133 HE2 :: 2.412 HE3 :: 2.114(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.132 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 176.759 CA :: 60.162 CB :: 30.523 CG1 :: 21.332 CG2 :: 18.960 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 :: 7.564 HA :: 4.397 HB :: 2.505 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.781 HG22 :: 0.781 HG23 :: 0.781 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 :: 108.114 Ave N Shift Values>> N :: 121.02(4.96) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.230 CA :: 46.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.689 HA2 :: 3.633 HA3 :: 3.627 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.238 Ave N Shift Values>> N :: 109.91(4.29) 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 174.384 CA :: 45.073 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.964 HA2 :: 3.490 HA3 :: 2.056(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.793 Ave N Shift Values>> N :: 109.91(4.29) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.18 D 0.16 Y 0.12 F 0.1 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 174.236 CA :: 54.279 CB :: 38.660 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.896 HA :: 4.641 HB2 :: 2.546 HB3 :: 2.936 HD21 :: 7.491 HD22 :: 6.939 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 :: 117.110 ND2 :: 114.181 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 I 0.39 A 0.01 C Shift Assignments>> C :: 174.288 CA :: 59.421 CB :: 41.053 CG1 :: 24.664 CG2 :: 19.116 CD1 :: 15.219 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.910 HA :: 4.234 HB :: 0.492(S) HG12 :: 0.754 HG13 :: 0.225 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 HD11 :: 0.231 HD12 :: 0.231 HD13 :: 0.231 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 :: 110.019 Ave N Shift Values>> N :: 121.6(4.72) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.763 CA :: 45.422 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.758 HA3 :: 2.504(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N92 1.N92 C Shift Assignments>> C :: 174.560 CA :: 58.711 CB :: 64.232 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.433 HA :: 4.133 HB2 :: 3.728 HB3 :: 3.739 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 :: 115.442 Ave N Shift Values>> N :: 116.3(3.95) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 S 0.01 C Shift Assignments>> C :: 175.439 CA :: 60.567 CB :: 68.362 CG2 :: 21.308 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 :: 7.059 HA :: 4.469 HB :: 4.675 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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 :: 107.423 Ave N Shift Values>> N :: 115.7(5.05) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 W 0.23 HN Overlap>> 1.E145 1.E145 C Shift Assignments>> C :: 175.777 CA :: 56.551 CB :: 27.486 CD1 :: 123.037 CE3 :: 121.914 CZ2 :: 112.117 CZ3 :: 120.589 CH2 :: 123.347 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.653 HA :: 4.471 HB2 :: 2.605 HB3 :: 2.593 HD1 :: 6.658 HE1 :: 10.031 HE3 :: 5.894 HZ2 :: 7.037 HZ3 :: 6.285 HH2 :: 5.925 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.213 NE1 :: 126.284 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 175.431 CA :: 45.481 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.597 HA2 :: 4.331 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.434 Ave N Shift Values>> N :: 109.91(4.29) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 175.724 CA :: 53.424 CB :: 39.069 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 :: 8.760 HA :: 4.713 HB2 :: 3.129 HB3 :: 2.895 HD21 :: 7.915 HD22 :: 7.240 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 :: 118.883 ND2 :: 114.217 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.44 C 0.04 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 179.756 CA :: 54.848 CB :: 19.494 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.570 HA :: 2.884 HB1 :: 1.042 HB2 :: 1.042 HB3 :: 1.042 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.815 Ave N Shift Values>> N :: 123.23(3.7) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 M 0.13 Y 0.07 K 0.07 N 0.06 Q 0.04 F 0.03 I 0.01 C Shift Assignments>> C :: 175.247 CA :: 55.367 CB :: 35.946 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 :: 8.494 HA :: 4.131 HB2 :: 3.003 HB3 :: 2.450 HD21 :: 7.652 HD22 :: 6.742 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 :: 114.689 ND2 :: 110.078 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.19 L 0.14 C 0.11 F 0.07 Y 0.06 K 0.06 R 0.01 C Shift Assignments>> C :: 176.366 CA :: 53.463 CB :: 40.657 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 :: 8.751 HA :: 4.980 HB2 :: 3.581 HB3 :: 2.806 HD21 :: 7.878 HD22 :: 6.996 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.238 ND2 :: 116.038 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.32 HN Overlap>> 1.E138 1.T6 1.E138 1.T6 C Shift Assignments>> C :: 177.141 CA :: 62.552 CB :: 28.796 CD1 :: 127.806 CE3 :: 119.055 CZ2 :: 115.161 CZ3 :: 121.060 CH2 :: 123.973 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.138 HA :: 4.168 HB2 :: 3.136 HB3 :: 3.136 HD1 :: 7.174 HE1 :: 9.693 HE3 :: 7.308 HZ2 :: 5.937 HZ3 :: 6.870 HH2 :: 6.756 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 :: 118.343 NE1 :: 128.225 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.2 I 0.07 C 0.02 C Shift Assignments>> C :: 179.004 CA :: 55.707 CB :: 17.147 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.166 HA :: 3.768 HB1 :: 1.221 HB2 :: 1.221 HB3 :: 1.221 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.322 Ave N Shift Values>> N :: 123.23(3.7) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.236 CA :: 60.876 CB :: 62.616 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.152 HA :: 4.037 HB2 :: 3.863 HB3 :: 3.829 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 :: 115.109 Ave N Shift Values>> N :: 116.3(3.95) 1.A82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.119 CA :: 54.633 CB :: 17.351 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.192 HA :: 3.688 HB1 :: 0.537(S) HB2 :: 0.537(S) HB3 :: 0.537(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.385 Ave N Shift Values>> N :: 123.23(3.7) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 180.250 CA :: 54.462 CB :: 18.575 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.790 HA :: 3.186 HB1 :: 0.725 HB2 :: 0.725 HB3 :: 0.725 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.536 Ave N Shift Values>> N :: 123.23(3.7) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T11 1.T11 C Shift Assignments>> C :: 179.891 CA :: 61.78 CB :: 62.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.014 HA :: 4.550 HB2 :: 3.986 HB3 :: 3.986 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 :: 114.864 Ave N Shift Values>> N :: 116.3(3.95) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.789 CA :: 61.585 CB :: 62.855 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.021 HA :: 4.291 HB2 :: 3.941 HB3 :: 3.950 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 :: 118.240 Ave N Shift Values>> N :: 116.3(3.95) 1.A86 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 :: 177.098 CA :: 51.998 CB :: 19.295 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.534 HA :: 4.591 HB1 :: 1.842 HB2 :: 1.842 HB3 :: 1.842 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.848 Ave N Shift Values>> N :: 123.23(3.7) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 175.061 CA :: 45.56 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.742 HA2 :: 4.260 HA3 :: 3.773 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.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 176.297 CA :: 58.05 CB :: 38.292 CD1 :: 133.590 CD2 :: 133.590 CE1 :: 117.870 CE2 :: 117.870 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 :: 8.333 HA :: 4.559 HB2 :: 2.951 HB3 :: 2.617 HD1 :: 7.576 HD2 :: 7.576 HE1 :: 7.020 HE2 :: 7.020 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.593 Ave N Shift Values>> N :: 120.79(4.69) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.031 CA :: 64.237 CB :: 69.526 CG2 :: 21.844 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 :: 9.388 HA :: 4.182 HB :: 4.113 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 121.053 Ave N Shift Values>> N :: 115.7(5.05) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.657 CA :: 60.518 CB :: 33.849 CG1 :: 21.098 CG2 :: 21.795 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 :: 8.514 HA :: 5.413 HB :: 1.993 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 130.103 Ave N Shift Values>> N :: 121.02(4.96) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.18 D 0.13 Y 0.06 F 0.04 L 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 173.940 CA :: 52.658 CB :: 38.239 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 :: 8.962 HA :: 5.005 HB2 :: 3.455 HB3 :: 3.211 HD21 :: 7.953 HD22 :: 7.350 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 :: 124.668 ND2 :: 115.672 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.28 C 0.13 L 0.08 Y 0.08 F 0.08 K 0.01 HN Overlap>> 1.S71 1.S71 C Shift Assignments>> C :: 174.482 CA :: 53.495 CB :: 39.754 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 :: 8.351 HA :: 5.857 HB2 :: 3.557 HB3 :: 2.941 HD21 :: 7.734 HD22 :: 6.745 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 :: 115.387 ND2 :: 110.701 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.I99 1.I99 C Shift Assignments>> C :: 171.093 CA :: 54.321 CB :: 64.066 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.28 HA :: 4.852 HB2 :: 3.803 HB3 :: 3.633 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 116.3(3.95) 1.P94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.175 CA :: 61.890 CB :: 32.540 CG :: 26.471 CD :: 50.109 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 :: 2.818(S) HB2 :: 1.178 HB3 :: 1.178 HG2 :: 1.761 HG3 :: 1.536 HD2 :: 3.637 HD3 :: 3.479 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.E95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.67 M 0.23 E 0.06 Q 0.01 C Shift Assignments>> C :: 175.003 CA :: 54.515 CB :: 34.255 CG :: 35.555 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 :: 5.928(S) HA :: 4.369 HB2 :: 1.991 HB3 :: 1.900 HG2 :: 2.368 HG3 :: 2.260 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 120.68(3.68) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 C 0.02 I 0.01 C Shift Assignments>> C :: 177.586 CA :: 54.159 CB :: 17.718 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.472 HA :: 3.684 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.626 Ave N Shift Values>> N :: 123.23(3.7) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.633 CA :: 45.064 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.116 HA2 :: 4.194 HA3 :: 3.595 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.401 Ave N Shift Values>> N :: 109.91(4.29) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.127 CA :: 57.686 CB :: 65.590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.408 HA :: 4.791 HB2 :: 3.727 HB3 :: 3.562 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 :: 112.234 Ave N Shift Values>> N :: 116.3(3.95) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 HN Overlap>> 1.S93 1.S93 C Shift Assignments>> C :: 176.390 CA :: 59.874 CB :: 41.307 CG1 :: 26.907 CG2 :: 17.608 CD1 :: 15.333 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 :: 8.217 HA :: 4.729 HB :: 2.005 HG12 :: 1.822 HG13 :: 1.080 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 HD11 :: 1.087 HD12 :: 1.087 HD13 :: 1.087 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 :: 117.047 Ave N Shift Values>> N :: 121.6(4.72) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.3 L 0.23 G 0.05 K 0.02 A 0.01 C Shift Assignments>> C :: 174.922 CA :: 55.307 CB :: 43.057 CG :: 26.945 CD1 :: 28.330 CD2 :: 23.307 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 :: 8.471 HA :: 4.170 HB2 :: 1.339 HB3 :: 1.045 HG :: 0.914 HD11 :: 0.303 HD12 :: 0.303 HD13 :: 0.303 HD21 :: 0.033 HD22 :: 0.033 HD23 :: 0.033 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 :: 130.449 Ave N Shift Values>> N :: 121.98(4.07) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.04 C Shift Assignments>> C :: 172.756 CA :: 55.69 CB :: 29.657 CG :: 33.75 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 :: 9.584 HA :: 4.954 HB2 :: 2.176 HB3 :: 1.423 HG2 :: 2.441 HG3 :: 2.363 HE21 :: 7.775 HE22 :: 5.652 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 :: 129.015 NE2 :: 104.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.871 CA :: 55.224 CB :: 66.073 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.722 HA :: 5.081 HB2 :: 3.847 HB3 :: 3.658 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 :: 118.115 Ave N Shift Values>> N :: 116.3(3.95) 1.T103 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 :: 174.039 CA :: 61.495 CB :: 68.985 CG2 :: 21.968 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 :: 8.519 HA :: 4.315 HB :: 4.614 HG21 :: 1.370 HG22 :: 1.370 HG23 :: 1.370 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 :: 115.652 Ave N Shift Values>> N :: 115.7(5.05) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.24 C 0.03 L 0.02 C Shift Assignments>> C :: 178.197 CA :: 53.044 CB :: 19.810 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.079 HA :: 4.317 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.045 Ave N Shift Values>> N :: 123.23(3.7) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 174.946 CA :: 44.927 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.432 HA2 :: 4.208 HA3 :: 3.777 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.838 Ave N Shift Values>> N :: 109.91(4.29) 1.G106 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 :: 174.926 CA :: 46.607 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.560 HA2 :: 3.634 HA3 :: 3.707 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.504 Ave N Shift Values>> N :: 109.91(4.29) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.042 CA :: 57.771 CB :: 40.041 CD1 :: 133.434 CD2 :: 133.434 CE1 :: 118.137 CE2 :: 118.137 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 :: 8.396 HA :: 4.685 HB2 :: 3.318 HB3 :: 2.897 HD1 :: 7.152 HD2 :: 7.152 HE1 :: 6.878 HE2 :: 6.878 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.603 Ave N Shift Values>> N :: 120.79(4.69) 1.G108 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 :: 172.241 CA :: 45.522 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.352 HA2 :: 4.244 HA3 :: 3.878 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.335 Ave N Shift Values>> N :: 109.91(4.29) 1.H109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 H 0.09 W 0.05 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 173.838 CA :: 57.217 CB :: 35.022 CD2 :: 116.244 CE1 :: 138.7 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 :: 8.360 HA :: 5.036 HB2 :: 3.221 HB3 :: 2.477 HD2 :: 6.072 HE1 :: 7.625 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 :: 117.770 ND1 :: 246.1 NE2 :: 170.6 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 I 0.06 A 0.04 V 0.01 C Shift Assignments>> C :: 172.894 CA :: 57.824 CB :: 36.339 CG1 :: 22.202 CG2 :: 17.143 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 :: 5.985 HA :: 5.334 HB :: 1.652 HG11 :: 0.551 HG12 :: 0.551 HG13 :: 0.551 HG21 :: -0.185(S) HG22 :: -0.185(S) HG23 :: -0.185(S) 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 :: 117.030 Ave N Shift Values>> N :: 121.02(4.96) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 P 0.28 C 0.22 K 0.07 A 0.03 M 0.03 R 0.02 C Shift Assignments>> C :: 174.082 CA :: 50.227 CB :: 24.201 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.878 HA :: 4.524 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.886 Ave N Shift Values>> N :: 123.23(3.7) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 174.340 CA :: 57.483 CB :: 41.198 CD1 :: 132.815 CD2 :: 132.815 CE1 :: 118.819 CE2 :: 118.819 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 :: 9.271 HA :: 4.824 HB2 :: 3.285 HB3 :: 2.532 HD1 :: 6.759 HD2 :: 6.759 HE1 :: 6.664 HE2 :: 6.664 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.693 Ave N Shift Values>> N :: 120.79(4.69) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.407 CA :: 63.636 CB :: 30.469 CG1 :: 23.562 CG2 :: 22.012 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.104 HA :: 3.934 HB :: 2.086 HG11 :: 0.481 HG12 :: 0.481 HG13 :: 0.481 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 126.360 Ave N Shift Values>> N :: 121.02(4.96) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 E 0.19 K 0.16 M 0.13 R 0.01 I 0.01 C Shift Assignments>> C :: 177.741 CA :: 57.550 CB :: 30.215 CG :: 34.287 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 :: 8.924 HA :: 4.216 HB2 :: 2.185 HB3 :: 1.575 HG2 :: 2.607 HG3 :: 2.537 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 :: 130.196 Ave N Shift Values>> N :: 120.68(3.68) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.16 C 0.11 K 0.09 F 0.03 G 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 172.405 CA :: 53.367 CB :: 42.793 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 :: 7.789 HA :: 4.703 HB2 :: 2.721 HB3 :: 2.410 HD21 :: 7.396 HD22 :: 6.705 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 :: 111.944 ND2 :: 114.463 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.28 C Shift Assignments>> C :: 175.708 CA :: 62.026 CB :: 32.926 CG1 :: 20.348 CG2 :: 21.545 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 :: 8.176 HA :: 4.418 HB :: 1.831 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.513 HG22 :: 0.513 HG23 :: 0.513 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 :: 122.567 Ave N Shift Values>> N :: 121.02(4.96) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.29 C 0.12 L 0.09 F 0.07 Y 0.07 K 0.01 C Shift Assignments>> C :: 178.151 CA :: 53.27 CB :: 39.96 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 :: 8.973 HA :: 4.814 HB2 :: 2.894 HB3 :: 2.894 HD21 :: 7.606 HD22 :: 7.489 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 :: 124.919 ND2 :: 114.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.685 CA :: 61.443 CB :: 62.672 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.164 HB2 :: 3.980 HB3 :: 3.977 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.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.28 C 0.13 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 176.667 CA :: 53.247 CB :: 39.738 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 :: 7.867 HA :: 4.542 HB2 :: 3.057 HB3 :: 2.631 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 :: 118.439 Ave N Shift Values>> N :: 120.73(4.2) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 173.734 CA :: 44.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.091 HA2 :: 4.288 HA3 :: 3.453 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.732 Ave N Shift Values>> N :: 109.91(4.29) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T11 1.T11 C Shift Assignments>> C :: 172.964 CA :: 58.704 CB :: 64.627 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.110 HA :: 4.397 HB2 :: 3.894 HB3 :: 4.061 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 :: 114.785 Ave N Shift Values>> N :: 116.3(3.95) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 174.383 CA :: 61.430 CB :: 35.953 CG1 :: 23.111 CG2 :: 22.866 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.898 HA :: 4.481 HB :: 1.838 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 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 :: 119.540 Ave N Shift Values>> N :: 121.02(4.96) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 M 0.21 Q 0.08 K 0.06 C Shift Assignments>> C :: 176.663 CA :: 54.482 CB :: 30.858 CG :: 35.687 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 :: 8.729 HA :: 5.220 HB2 :: 2.153 HB3 :: 1.824 HG2 :: 2.262 HG3 :: 2.145 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 :: 126.136 Ave N Shift Values>> N :: 120.68(3.68) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.12 A 0.03 I 0.03 C Shift Assignments>> C :: 175.925 CA :: 58.267 CB :: 35.118 CG1 :: 22.266 CG2 :: 18.389 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 :: 9.126 HA :: 5.722 HB :: 2.087 HG11 :: 0.727 HG12 :: 0.727 HG13 :: 0.727 HG21 :: 0.539 HG22 :: 0.539 HG23 :: 0.539 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 :: 115.992 Ave N Shift Values>> N :: 121.02(4.96) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 173.145 CA :: 57.246 CB :: 66.294 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.483 HA :: 5.589 HB2 :: 4.140 HB3 :: 4.023 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.572 Ave N Shift Values>> N :: 116.3(3.95) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 Q 0.07 K 0.04 R 0.01 C Shift Assignments>> C :: 171.913 CA :: 54.11 CB :: 31.98 CG :: 32.01 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 :: 8.832 HA :: 5.164 HB2 :: 2.113 HB3 :: 1.981 HG2 :: 2.417 HG3 :: 1.804 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.836 Ave N Shift Values>> N :: 120.68(3.68) 1.M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.27 M 0.12 HN Overlap>> 1.N155 1.N155 C Shift Assignments>> C :: 175.00 CA :: 53.06 CB :: 37.470 CG :: 32.36 CE :: 18.152 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 :: 8.517 HA :: 5.212 HB2 :: 1.681 HB3 :: 1.431 HG2 :: 2.256 HG3 :: 2.174 HE1 :: 2.212 HE2 :: 2.212 HE3 :: 2.212 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 :: 118.8 Ave N Shift Values>> N :: 120.1(3.88) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.19 D 0.12 Y 0.09 F 0.06 E 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.910 CA :: 53.428 CB :: 38.098 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 :: 8.219 HA :: 4.192 HB2 :: 3.537 HB3 :: 2.390 HD21 :: 7.566 HD22 :: 6.773 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 :: 117.30 ND2 :: 108.615 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 175.089 CA :: 59.117 CB :: 39.869 CD1 :: 132.575 CD2 :: 132.575 CE1 :: 117.115 CE2 :: 117.115 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 :: 8.929 HA :: 4.269 HB2 :: 2.508 HB3 :: 2.398 HD1 :: 6.177 HD2 :: 6.177 HE1 :: 6.405 HE2 :: 6.405 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.069 Ave N Shift Values>> N :: 120.79(4.69) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.24 C 0.14 Y 0.07 F 0.07 L 0.05 C Shift Assignments>> C :: 175.342 CA :: 53.180 CB :: 39.330 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 :: 8.164 HA :: 4.503 HB2 :: 2.626 HB3 :: 2.626 HD21 :: 7.427 HD22 :: 6.782 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 :: 117.814 ND2 :: 112.015 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 174.430 CA :: 45.070 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.975 HA2 :: 4.019 HA3 :: 4.019 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.036 Ave N Shift Values>> N :: 109.91(4.29) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 171.628 CA :: 44.98 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 4.124 HA3 :: 4.032 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.402 Ave N Shift Values>> N :: 109.91(4.29) 1.P133 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 :: 177.829 CA :: 63.698 CB :: 31.766 CG :: 27.831 CD :: 49.776 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 :: 4.092 HB2 :: 1.994 HB3 :: 1.815 HG2 :: 2.090 HG3 :: 1.805 HD2 :: 3.577 HD3 :: 3.554 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.F134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 174.475 CA :: 61.882 CB :: 36.424 CD1 :: 131.932 CD2 :: 131.932 CE1 :: 131.380 CE2 :: 131.380 CZ :: 129.371 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 :: 8.353 HA :: 4.462 HB2 :: 3.594 HB3 :: 3.375 HD1 :: 7.149 HD2 :: 7.149 HE1 :: 6.953 HE2 :: 6.953 HZ :: 6.759 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 :: 113.472 Ave N Shift Values>> N :: 120.69(4.18) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.115 CA :: 58.073 CB :: 63.953 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.908 HA :: 4.652 HB2 :: 3.996 HB3 :: 3.771 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 :: 115.622 Ave N Shift Values>> N :: 116.3(3.95) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.820 CA :: 61.739 CB :: 32.774 CG1 :: 21.002 CG2 :: 23.101 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 :: 8.854 HA :: 4.692 HB :: 1.909 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 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 :: 130.031 Ave N Shift Values>> N :: 121.02(4.96) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.988 CA :: 57.019 CB :: 65.728 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.291 HA :: 4.836 HB2 :: 3.811 HB3 :: 4.070 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 :: 122.964 Ave N Shift Values>> N :: 116.3(3.95) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.25 E 0.17 HN Overlap>> 1.T6 1.W79 1.T6 1.W79 C Shift Assignments>> C :: 176.240 CA :: 54.643 CB :: 33.053 CG :: 36.514 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 :: 8.202 HA :: 5.385 HB2 :: 2.151 HB3 :: 1.911 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.341 Ave N Shift Values>> N :: 120.68(3.68) 1.R139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 K 0.23 R 0.1 G 0.08 C Shift Assignments>> C :: 173.887 CA :: 55.822 CB :: 35.118 CG :: 27.77 CD :: 43.206 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 :: 8.249 HA :: 4.617 HB2 :: 1.583 HB3 :: 1.583 HG2 :: 1.360 HG3 :: 1.174 HD2 :: 2.719 HD3 :: 3.106 HE :: 9.369(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.754 NE :: 86.72 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.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.117 CA :: 61.765 CB :: 69.671 CG2 :: 21.616 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 :: 8.555 HA :: 5.115 HB :: 3.874 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 120.169 Ave N Shift Values>> N :: 115.7(5.05) 1.I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.147 CA :: 60.164 CB :: 40.120 CG1 :: 27.859 CG2 :: 17.525 CD1 :: 14.187 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 :: 9.877 HA :: 4.191 HB :: 1.755 HG12 :: 1.356 HG13 :: 0.947 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 HD11 :: 0.473 HD12 :: 0.473 HD13 :: 0.473 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 :: 131.430 Ave N Shift Values>> N :: 121.6(4.72) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.111 CA :: 58.741 CB :: 64.436 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.895 HA :: 4.146 HB2 :: 4.075 HB3 :: 4.171 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 :: 122.851 Ave N Shift Values>> N :: 116.3(3.95) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.771 CA :: 55.472 CB :: 18.614 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.849 HA :: 3.883 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.756 Ave N Shift Values>> N :: 123.23(3.7) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 175.855 CA :: 46.536 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.568 HA2 :: 3.855 HA3 :: 3.855 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.703 Ave N Shift Values>> N :: 109.91(4.29) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 I 0.07 K 0.05 Q 0.02 HN Overlap>> 1.W73 1.W73 C Shift Assignments>> C :: 179.082 CA :: 57.445 CB :: 30.526 CG :: 36.54 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 :: 7.588 HA :: 4.212 HB2 :: 2.065 HB3 :: 2.081 HG2 :: 2.307 HG3 :: 2.261 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 :: 121.187 Ave N Shift Values>> N :: 120.68(3.68) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.21 I 0.08 C 0.04 V 0.02 C Shift Assignments>> C :: 180.155 CA :: 56.190 CB :: 18.422 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.687 HA :: 4.095 HB1 :: 1.572 HB2 :: 1.572 HB3 :: 1.572 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.787 Ave N Shift Values>> N :: 123.23(3.7) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.054 CA :: 59.868 CB :: 63.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.929 HA :: 4.809 HB2 :: 4.193 HB3 :: 4.108 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 :: 110.570 Ave N Shift Values>> N :: 116.3(3.95) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.601 CA :: 59.281 CB :: 63.928 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.916 HA :: 4.385 HB2 :: 3.739 HB3 :: 3.740 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 :: 116.180 Ave N Shift Values>> N :: 116.3(3.95) 1.Y149 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 :: 174.071 CA :: 57.244 CB :: 39.665 CD1 :: 133.293 CD2 :: 133.293 CE1 :: 117.766 CE2 :: 117.766 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.975 HA :: 4.701 HB2 :: 2.931 HB3 :: 2.394 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 6.713 HE2 :: 6.713 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 120.79(4.69) 1.N150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 L 0.12 C 0.12 F 0.04 K 0.04 Y 0.04 C Shift Assignments>> C :: 173.775 CA :: 51.979 CB :: 40.764 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 :: 7.944 HA :: 5.071 HB2 :: 3.033 HB3 :: 2.128 HD21 :: 7.896 HD22 :: 7.098 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 :: 114.312 ND2 :: 114.910 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.44 C Shift Assignments>> C :: 174.925 CA :: 56.914 CB :: 40.132 CD1 :: 134.559 CD2 :: 134.559 CE1 :: 116.872 CE2 :: 116.878 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 :: 9.457 HA :: 5.286 HB2 :: 2.455 HB3 :: 2.123 HD1 :: 6.878 HD2 :: 6.878 HE1 :: 6.302 HE2 :: 6.302 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.445 Ave N Shift Values>> N :: 120.79(4.69) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.432 CA :: 60.700 CB :: 39.431 CG1 :: 27.166 CG2 :: 17.630 CD1 :: 14.844 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 :: 9.400 HA :: 4.305 HB :: 1.974 HG12 :: 1.635 HG13 :: 0.856 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 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 :: 123.218 Ave N Shift Values>> N :: 121.6(4.72) 1.H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 C Shift Assignments>> C :: 175.197 CA :: 55.95 CB :: 29.91 CD2 :: 120.1 CE1 :: 137.4 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 :: 8.763 HA :: 4.696 HB2 :: 3.268 HB3 :: 3.153 HD2 :: 6.999 HE1 :: 8.175 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 :: 125.970 ND1 :: 196.9 NE2 :: 177.1 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.29 R 0.19 G 0.01 K 0.01 C Shift Assignments>> C :: 176.553 CA :: 55.35 CB :: 42.248 CG :: 28.203 CD1 :: 25.483 CD2 :: 24.212 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 :: 9.151 HA :: 4.644 HB2 :: 1.816 HB3 :: 1.687 HG :: 1.853 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 124.533 Ave N Shift Values>> N :: 121.98(4.07) 1.N155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.01 HN Overlap>> 1.M127 1.M127 C Shift Assignments>> C :: 175.241 CA :: 53.121 CB :: 38.449 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 :: 8.588 HA :: 4.755 HB2 :: 2.820 HB3 :: 2.721 HD21 :: 7.577 HD22 :: 6.850 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 :: 118.812 ND2 :: 112.890 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.07 A 0.02 G 0.02 HN Overlap>> 1.Q42 1.Q42 C Shift Assignments>> C :: 177.579 CA :: 55.348 CB :: 42.317 CG :: 26.892 CD1 :: 25.106 CD2 :: 23.253 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 :: 8.300 HA :: 4.280 HB2 :: 1.568 HB3 :: 1.495 HG :: 1.561 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 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 :: 122.858 Ave N Shift Values>> N :: 121.98(4.07) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.07 I 0.06 Q 0.05 HN Overlap>> 1.D22 1.N37 1.D22 1.N37 C Shift Assignments>> C :: 176.451 CA :: 57.041 CB :: 29.930 CG :: 36.192 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 :: 8.431 HA :: 4.130 HB2 :: 1.870 HB3 :: 1.870 HG2 :: 2.179 HG3 :: 2.089 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 :: 120.669 Ave N Shift Values>> N :: 120.68(3.68) 1.H158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 Q 0.13 W 0.13 E 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 174.964 CA :: 56.032 CB :: 30.220 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 :: 8.177 HA :: 4.620 HB2 :: 3.110 HB3 :: 3.070 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 :: 118.952 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 151 #Clerical: 0 #Suspicious: 10 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 155 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 163 #Suspicious: 0 C Shift Results: #Consistent: 607 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 934 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 1 N Shift Results: #Consistent: 178 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A54 HA = 1.694(A), Expected = 4.26, Std = 0.4200, ChiSquare = 9.9929e-10 1.G55 H = 5.120(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.3530e-05 1.G55 HA2 = 2.322(S), Expected = 3.95, Std = 0.4000, ChiSquare = 4.7013e-05 1.G55 HA3 = 2.261(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.0128e-05 1.W59 CD1 = 130.934(A), Expected = 126.16, Std = 1.7600, ChiSquare = 6.6778e-03 1.K64 HB3 = 0.784(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.2774e-04 1.K64 HG2 = 0.441(S), Expected = 1.38, Std = 0.2700, ChiSquare = 5.0559e-04 1.K64 HG3 = 0.069(S), Expected = 1.37, Std = 0.2900, ChiSquare = 7.2502e-06 1.K64 HE3 = 2.114(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5036e-05 1.G67 HA3 = 2.056(S), Expected = 3.93, Std = 0.4000, ChiSquare = 2.7996e-06 1.I69 HB = 0.492(S), Expected = 1.80, Std = 0.3100, ChiSquare = 2.4500e-05 1.G70 HA3 = 2.504(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.6386e-04 1.A82 HB1 = 0.537(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.4624e-04 1.A82 HB2 = 0.537(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.4624e-04 1.A82 HB3 = 0.537(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.4624e-04 1.P94 HA = 2.818(S), Expected = 4.41, Std = 0.3600, ChiSquare = 9.7691e-06 1.E95 H = 5.928(S), Expected = 8.34, Std = 0.6100, ChiSquare = 7.6824e-05 1.V110 HG21 = -0.185(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.6526e-04 1.V110 HG22 = -0.185(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.6526e-04 1.V110 HG23 = -0.185(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.6526e-04 1.R139 HE = 9.369(S), Expected = 7.32, Std = 0.5200, ChiSquare = 8.1351e-05