Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.8 A 0.19 C Shift Assignments>> C :: 176.562 CA :: 56.205 CB :: 32.733 CG :: 32.309 CE :: 17.362 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>> HA :: 4.368 HB2 :: 1.937 HB3 :: 1.937 HG2 :: 2.486 HG3 :: 2.486 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 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) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.34 R 0.13 E 0.11 M 0.05 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 176.589 CA :: 57.311 CB :: 28.406 CG :: 33.580 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 :: 8.637 HA :: 4.115 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 2.258 HG3 :: 2.214 HE21 :: 6.749 HE22 :: 7.594 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 :: 121.383 NE2 :: 112.299 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 HN Overlap>> 1.K24 1.K24 C Shift Assignments>> C :: 177.581 CA :: 59.409 CB :: 38.853 CD1 :: 131.882 CE1 :: 131.818 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 :: 8.118 HA :: 4.444 HB2 :: 3.170 HB3 :: 3.071 HD1 :: 7.217 HD2 :: 7.217 HE1 :: 7.312 HE2 :: 7.312 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.988 Ave N Shift Values>> N :: 120.69(4.18) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.42 M 0.02 G 0.02 C Shift Assignments>> C :: 179.091 CA :: 59.002 CB :: 32.738 CG :: 25.752 CD :: 29.692 CE :: 42.367 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 :: 8.133 HA :: 4.021 HB2 :: 1.759 HB3 :: 1.759 HG2 :: 1.480 HG3 :: 1.348 HD2 :: 1.515 HD3 :: 1.642 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.881 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.35 C Shift Assignments>> C :: 178.665 CA :: 55.370 CB :: 18.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.419 HA :: 3.812 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.313 Ave N Shift Values>> N :: 123.23(3.7) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.72 K 0.17 Q 0.06 M 0.03 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> C :: 178.916 CA :: 59.749 CB :: 29.177 CG :: 36.243 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 :: 8.247 HA :: 3.753 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 2.320 HG3 :: 2.320 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 :: 117.928 Ave N Shift Values>> N :: 120.68(3.68) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.38 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 180.856 CA :: 55.160 CB :: 18.062 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.774 HA :: 4.289 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.431 Ave N Shift Values>> N :: 123.23(3.7) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.31 R 0.03 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 177.445 CA :: 56.831 CB :: 27.944 CG :: 26.770 CD :: 39.778 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.909 HA :: 4.197 HB2 :: 1.955 HB3 :: 1.861 HG2 :: 1.252 HG3 :: 1.252 HD2 :: 3.490 HD3 :: 3.166 HE :: 7.674 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.806 NE :: 79.535 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.R10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 R 0.34 L 0.21 G 0.08 C Shift Assignments>> C :: 178.034 CA :: 60.644 CB :: 27.846 CG :: 26.283 CD :: 42.700 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 :: 8.702 HA :: 3.526 HB2 :: 1.745 HB3 :: 1.667 HG2 :: 1.173 HG3 :: 1.084 HD2 :: 2.176(S) HD3 :: 2.176(S) HE :: 6.898 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 :: 121.107 NE :: 82.262 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.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.19 E 0.19 N 0.15 D 0.07 M 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 176.748 CA :: 56.172 CB :: 37.792 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 :: 8.027 HA :: 4.482 HB2 :: 2.957 HB3 :: 2.330 HD21 :: 8.160 HD22 :: 7.617 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 :: 117.753 ND2 :: 115.681 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.29 M 0.02 G 0.01 C Shift Assignments>> C :: 178.235 CA :: 60.203 CB :: 32.377 CG :: 25.274 CD :: 29.540 CE :: 42.045 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 :: 8.024 HA :: 3.804 HB2 :: 1.990 HB3 :: 1.852 HG2 :: 1.318 HG3 :: 1.216 HD2 :: 1.565 HD3 :: 1.565 HE2 :: 2.846 HE3 :: 2.846 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.744 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.18 A 0.05 G 0.02 C Shift Assignments>> C :: 180.656 CA :: 57.823 CB :: 41.763 CG :: 26.732 CD1 :: 21.537 CD2 :: 25.490 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 :: 8.519 HA :: 4.003 HB2 :: 1.482 HB3 :: 1.968 HG :: 1.886 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 117.266 Ave N Shift Values>> N :: 121.98(4.07) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.9 A 0.08 C Shift Assignments>> C :: 178.017 CA :: 57.592 CB :: 31.985 CG :: 33.601 CE :: 20.800 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 :: 8.886 HA :: 4.370 HB2 :: 2.042 HB3 :: 2.637 HG2 :: 2.644 HG3 :: 2.732 HE1 :: 2.176 HE2 :: 2.176 HE3 :: 2.176 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.392 Ave N Shift Values>> N :: 120.1(3.88) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 G 0.29 A 0.14 N 0.06 D 0.02 L 0.01 C Shift Assignments>> C :: 174.863 CA :: 48.285 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.941 HA2 :: 3.907 HA3 :: 3.742 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.398 Ave N Shift Values>> N :: 109.91(4.29) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 A 0.01 G 0.01 HN Overlap>> 1.Q3 1.Q3 C Shift Assignments>> C :: 179.472 CA :: 58.017 CB :: 41.716 CG :: 26.753 CD1 :: 26.664 CD2 :: 22.153 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.573 HA :: 4.153 HB2 :: 1.485 HB3 :: 1.971 HG :: 1.785 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 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 :: 121.455 Ave N Shift Values>> N :: 121.98(4.07) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.567 CA :: 62.439 CB :: 27.401 CD1 :: 127.595 CE3 :: 121.744 CZ2 :: 114.634 CZ3 :: 119.711 CH2 :: 122.185 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 :: 8.126 HA :: 4.369 HB2 :: 3.682 HB3 :: 3.302 HD1 :: 7.370 HE1 :: 10.150 HE3 :: 7.727 HZ2 :: 7.376 HZ3 :: 6.703 HH2 :: 6.647 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 :: 123.634 NE1 :: 130.361 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.431 CA :: 66.728 CB :: 32.026 CG1 :: 21.399 CG2 :: 24.605 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 :: 8.952 HA :: 2.832 HB :: 2.346 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 1.380 HG22 :: 1.380 HG23 :: 1.380 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 :: 118.972 Ave N Shift Values>> N :: 121.02(4.96) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.35 V 0.01 C Shift Assignments>> C :: 178.307 CA :: 55.522 CB :: 18.519 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.547 HA :: 3.268 HB1 :: 1.511 HB2 :: 1.511 HB3 :: 1.511 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.935 Ave N Shift Values>> N :: 123.23(3.7) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 K 0.17 Q 0.06 M 0.03 C Shift Assignments>> C :: 180.841 CA :: 59.483 CB :: 29.171 CG :: 36.243 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 :: 7.481 HA :: 3.968 HB2 :: 2.082 HB3 :: 2.157 HG2 :: 2.044 HG3 :: 2.258 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.121 Ave N Shift Values>> N :: 120.68(3.68) 1.V21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.225 CA :: 66.207 CB :: 30.843 CG1 :: 20.993 CG2 :: 22.306 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 :: 7.777 HA :: 3.238 HB :: 1.707 HG11 :: -0.099(S) HG12 :: -0.099(S) HG13 :: -0.099(S) HG21 :: 0.439 HG22 :: 0.439 HG23 :: 0.439 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.559 Ave N Shift Values>> N :: 121.02(4.96) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 A 0.13 R 0.03 G 0.03 C Shift Assignments>> C :: 176.877 CA :: 54.983 CB :: 42.199 CG :: 25.681 CD1 :: 22.408 CD2 :: 25.448 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 :: 7.856 HA :: 3.912 HB2 :: 1.342 HB3 :: 1.446 HG :: 1.477 HD11 :: 0.606 HD12 :: 0.606 HD13 :: 0.606 HD21 :: 0.139 HD22 :: 0.139 HD23 :: 0.139 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.496 Ave N Shift Values>> N :: 121.98(4.07) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.900 CA :: 45.923 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.749 HA2 :: 3.966 HA3 :: 3.679 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.618 Ave N Shift Values>> N :: 109.91(4.29) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.44 M 0.03 G 0.02 HN Overlap>> 1.F4 1.F4 C Shift Assignments>> C :: 175.468 CA :: 55.282 CB :: 34.724 CG :: 25.645 CD :: 29.725 CE :: 42.286 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 :: 8.183 HA :: 4.403 HB2 :: 1.396 HB3 :: 1.250 HG2 :: 1.331 HG3 :: 1.026 HD2 :: 1.025 HD3 :: 1.368 HE2 :: 2.700 HE3 :: 2.700 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.904 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.684 CA :: 57.067 CB :: 65.800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.678 HA :: 4.558 HB2 :: 3.796 HB3 :: 3.727 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 :: 115.768 Ave N Shift Values>> N :: 116.3(3.95) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 176.120 CA :: 47.042 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.760 HA2 :: 3.915 HA3 :: 3.752 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.110 Ave N Shift Values>> N :: 109.91(4.29) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.12 D 0.11 K 0.1 N 0.02 R 0.01 C Shift Assignments>> C :: 178.849 CA :: 57.508 CB :: 40.308 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.014 HA :: 4.385 HB2 :: 2.678 HB3 :: 2.593 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.193 Ave N Shift Values>> N :: 120.73(4.2) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.83 K 0.09 M 0.05 Q 0.01 C Shift Assignments>> C :: 179.783 CA :: 59.425 CB :: 29.733 CG :: 37.017 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 :: 8.325 HA :: 4.092 HB2 :: 2.247 HB3 :: 2.002 HG2 :: 2.212 HG3 :: 2.395 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 :: 120.199 Ave N Shift Values>> N :: 120.68(3.68) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.39 C Shift Assignments>> C :: 178.316 CA :: 54.855 CB :: 17.619 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.283 HA :: 3.781 HB1 :: 1.187 HB2 :: 1.187 HB3 :: 1.187 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.986 Ave N Shift Values>> N :: 123.23(3.7) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.22 N 0.14 E 0.14 D 0.09 L 0.03 M 0.02 C Shift Assignments>> C :: 178.263 CA :: 56.263 CB :: 38.139 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 :: 7.670 HA :: 4.296 HB2 :: 2.758 HB3 :: 2.758 HD21 :: 7.733 HD22 :: 6.835 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.456 ND2 :: 113.182 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.41 C Shift Assignments>> C :: 180.145 CA :: 54.918 CB :: 17.989 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.238 HA :: 4.099 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.423 Ave N Shift Values>> N :: 123.23(3.7) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.622 CA :: 62.454 CB :: 38.443 CD1 :: 132.373 CE1 :: 118.037 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 :: 7.828 HA :: 3.937 HB2 :: 3.032 HB3 :: 2.851 HD1 :: 6.952 HD2 :: 6.952 HE1 :: 6.515 HE2 :: 6.515 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 :: 120.429 Ave N Shift Values>> N :: 120.79(4.69) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.24 V 0.01 C Shift Assignments>> C :: 179.061 CA :: 56.056 CB :: 18.004 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.398 HA :: 3.718 HB1 :: 1.544 HB2 :: 1.544 HB3 :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.573 Ave N Shift Values>> N :: 123.23(3.7) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.42 C Shift Assignments>> C :: 180.362 CA :: 54.860 CB :: 17.963 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.611 HA :: 3.984 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.895 Ave N Shift Values>> N :: 123.23(3.7) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 K 0.16 Q 0.07 M 0.07 C Shift Assignments>> C :: 179.276 CA :: 58.738 CB :: 29.633 CG :: 36.207 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 :: 7.508 HA :: 3.854 HB2 :: 1.789 HB3 :: 2.000 HG2 :: 2.106 HG3 :: 2.354 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 :: 118.504 Ave N Shift Values>> N :: 120.68(3.68) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A39 1.A39 C Shift Assignments>> C :: 176.792 CA :: 67.131 CB :: 30.830 CG1 :: 22.959 CG2 :: 24.934 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 :: 7.455 HA :: 3.170 HB :: 2.088 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.570 HG22 :: 0.570 HG23 :: 0.570 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.386 Ave N Shift Values>> N :: 121.02(4.96) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D58 1.D58 C Shift Assignments>> C :: 178.823 CA :: 66.279 CB :: 32.619 CG1 :: 21.180 CG2 :: 22.549 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 :: 7.552 HA :: 3.438 HB :: 2.099 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 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 :: 117.390 Ave N Shift Values>> N :: 121.02(4.96) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 M 0.03 G 0.01 C Shift Assignments>> C :: 176.868 CA :: 57.815 CB :: 32.830 CG :: 25.487 CD :: 29.477 CE :: 42.119 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 :: 7.381 HA :: 3.886 HB2 :: 1.707 HB3 :: 1.785 HG2 :: 1.405 HG3 :: 1.481 HD2 :: 1.566 HD3 :: 1.566 HE2 :: 2.849 HE3 :: 2.849 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.758 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.28 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 176.489 CA :: 52.969 CB :: 18.260 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.452 HA :: 4.101 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 :: 121.378 Ave N Shift Values>> N :: 123.23(3.7) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.27 K 0.15 R 0.09 N 0.06 F 0.06 Y 0.05 C Shift Assignments>> CA :: 53.838 CB :: 41.956 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 :: 6.807 HA :: 4.577 HB2 :: 2.645 HB3 :: 2.292 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.434 Ave N Shift Values>> N :: 120.73(4.2) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.51 F 0.48 C Shift Assignments>> C :: 176.030 CA :: 57.440 CB :: 38.912 CD1 :: 131.806 CE1 :: 131.667 CZ :: 129.638 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>> HA :: 4.574 HB2 :: 3.292 HB3 :: 2.967 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 7.273 HE2 :: 7.273 HZ :: 7.189 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) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 K 0.19 Q 0.05 M 0.04 C Shift Assignments>> C :: 176.397 CA :: 57.782 CB :: 29.003 CG :: 36.532 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 :: 8.382 HA :: 3.990 HB2 :: 2.116 HB3 :: 2.042 HG2 :: 2.129 HG3 :: 2.129 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 :: 119.675 Ave N Shift Values>> N :: 120.68(3.68) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.26 K 0.07 Q 0.05 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 176.399 CA :: 56.471 CB :: 30.985 CG :: 36.308 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 :: 8.514 HA :: 4.196 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 2.199 HG3 :: 2.199 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 :: 119.628 Ave N Shift Values>> N :: 120.68(3.68) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 179.261 CA :: 53.160 CB :: 18.714 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.388 HA :: 4.153 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.880 Ave N Shift Values>> N :: 123.23(3.7) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 174.391 CA :: 45.749 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.445 HA2 :: 3.958 HA3 :: 3.683 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.438 Ave N Shift Values>> N :: 109.91(4.29) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> CA :: 55.588 CB :: 28.375 CD2 :: 120.359 CE1 :: 137.278 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 :: 8.409 HA :: 4.955 HB2 :: 3.447 HB3 :: 3.312 HD2 :: 7.296 HE1 :: 8.447 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 :: 114.890 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 K 0.2 Q 0.08 M 0.05 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> CA :: 58.000 CB :: 29.153 CG :: 36.243 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 :: 8.508 HA :: 4.000 HB2 :: 2.105 HB3 :: 2.055 HG2 :: 2.207 HG3 :: 2.207 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 :: 119.581 Ave N Shift Values>> N :: 120.68(3.68) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.26 F 0.25 D 0.2 L 0.11 N 0.1 K 0.02 E 0.01 C Shift Assignments>> C :: 179.140 CA :: 56.203 CB :: 39.602 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>> HA :: 4.193 HB2 :: 2.909 HB3 :: 2.709 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.814 CA :: 66.762 CB :: 31.781 CG1 :: 21.085 CG2 :: 22.767 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 :: 8.509 HA :: 3.311 HB :: 1.937 HG11 :: 0.661 HG12 :: 0.661 HG13 :: 0.661 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.269 Ave N Shift Values>> N :: 121.02(4.96) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.87 A 0.12 C Shift Assignments>> C :: 177.801 CA :: 56.567 CB :: 31.464 CG :: 32.060 CE :: 16.800 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.723 HA :: 4.124 HB2 :: 1.963 HB3 :: 1.690 HG2 :: 2.134 HG3 :: 2.410 HE1 :: 1.347 HE2 :: 1.347 HE3 :: 1.347 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 :: 117.066 Ave N Shift Values>> N :: 120.1(3.88) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.19 K 0.12 C Shift Assignments>> CA :: 59.949 CB :: 30.421 CG :: 28.251 CD :: 43.546 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 :: 8.382 HA :: 3.866 HB2 :: 1.894 HB3 :: 1.747 HG2 :: 1.798 HG3 :: 1.504 HD2 :: 3.125 HD3 :: 3.213 HE :: 7.224 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.322 NE :: 83.307 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.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.38 G 0.02 M 0.02 C Shift Assignments>> C :: 178.632 CA :: 59.442 CB :: 32.442 CG :: 25.538 CD :: 29.570 CE :: 42.400 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 :: 7.463 HA :: 4.031 HB2 :: 2.009 HB3 :: 1.967 HG2 :: 1.277 HG3 :: 1.371 HD2 :: 1.504 HD3 :: 1.504 HE2 :: 2.508 HE3 :: 2.472 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.594 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.241 CA :: 65.950 CB :: 31.868 CG1 :: 20.840 CG2 :: 23.039 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 :: 8.430 HA :: 3.939 HB :: 2.231 HG11 :: 1.010 HG12 :: 1.010 HG13 :: 1.010 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 114.447 Ave N Shift Values>> N :: 121.02(4.96) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 K 0.01 C Shift Assignments>> C :: 181.448 CA :: 58.068 CB :: 40.628 CG :: 27.621 CD1 :: 25.931 CD2 :: 23.144 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 :: 8.951 HA :: 4.092 HB2 :: 1.353 HB3 :: 1.877 HG :: 1.752 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.753 Ave N Shift Values>> N :: 121.98(4.07) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 176.182 CA :: 46.981 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.838 HA2 :: 3.845 HA3 :: 3.918 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.086 Ave N Shift Values>> N :: 109.91(4.29) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 D 0.18 L 0.13 N 0.06 K 0.06 C Shift Assignments>> C :: 177.893 CA :: 56.641 CB :: 39.976 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 :: 7.843 HA :: 4.442 HB2 :: 2.456 HB3 :: 2.672 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.668 Ave N Shift Values>> N :: 120.73(4.2) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 R 0.39 G 0.15 K 0.02 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 177.936 CA :: 56.736 CB :: 43.571 CG :: 27.259 CD1 :: 27.608 CD2 :: 24.770 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 :: 8.252 HA :: 3.881 HB2 :: 1.949 HB3 :: 1.362 HG :: 1.687 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.897 Ave N Shift Values>> N :: 121.98(4.07) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 F 0.14 Y 0.13 N 0.11 K 0.1 R 0.01 HN Overlap>> 1.V37 1.V37 C Shift Assignments>> C :: 176.267 CA :: 55.056 CB :: 40.594 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 :: 7.566 HA :: 4.310 HB2 :: 2.850 HB3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.474 Ave N Shift Values>> N :: 120.73(4.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 176.397 CA :: 45.690 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.218 HA2 :: 4.050 HA3 :: 3.659 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.635 Ave N Shift Values>> N :: 109.91(4.29) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.42 G 0.02 C Shift Assignments>> C :: 177.652 CA :: 59.106 CB :: 33.972 CG :: 26.641 CD :: 29.429 CE :: 42.366 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 :: 7.878 HA :: 3.938 HB2 :: 1.591 HB3 :: 1.629 HG2 :: 1.370 HG3 :: 1.559 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.931 HE3 :: 2.931 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.374 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.4 G 0.08 C Shift Assignments>> CA :: 51.053 CB :: 32.657 CG :: 27.180 CD :: 41.868 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.450 HA :: 4.798 HB2 :: 1.369 HB3 :: 1.369 HG2 :: 1.496 HG3 :: 1.292 HD2 :: 3.418 HD3 :: 3.475 HE :: 7.749 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 :: 113.181 NE :: 84.222 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.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.652 CA :: 62.650 CB :: 32.499 CG :: 28.033 CD :: 50.482 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 :: 4.394 HB2 :: 2.448 HB3 :: 1.911 HG2 :: 2.147 HG3 :: 2.018 HD2 :: 3.800 HD3 :: 3.756 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.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.73 K 0.16 Q 0.05 M 0.02 C Shift Assignments>> C :: 177.986 CA :: 60.392 CB :: 29.080 CG :: 36.228 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 :: 8.883 HA :: 3.649 HB2 :: 1.878 HB3 :: 2.161 HG2 :: 2.145 HG3 :: 2.259 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 :: 126.694 Ave N Shift Values>> N :: 120.68(3.68) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.36 V 0.01 C Shift Assignments>> C :: 180.970 CA :: 55.356 CB :: 18.281 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.035 HA :: 3.991 HB1 :: 1.358 HB2 :: 1.358 HB3 :: 1.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.579 Ave N Shift Values>> N :: 123.23(3.7) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 K 0.12 M 0.1 Q 0.06 C Shift Assignments>> C :: 178.767 CA :: 58.846 CB :: 30.046 CG :: 36.290 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 :: 7.059 HA :: 4.018 HB2 :: 2.212 HB3 :: 2.101 HG2 :: 2.102 HG3 :: 2.327 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.897 Ave N Shift Values>> N :: 120.68(3.68) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.740 CA :: 66.662 CB :: 32.074 CG1 :: 22.147 CG2 :: 23.465 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 :: 7.651 HA :: 3.390 HB :: 2.202 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.569 Ave N Shift Values>> N :: 121.02(4.96) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.31 G 0.13 C Shift Assignments>> CA :: 60.390 CB :: 30.361 CG :: 29.880 CD :: 42.864 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 :: 8.495 HA :: 3.916 HB2 :: 1.709 HB3 :: 1.709 HG2 :: 1.819 HG3 :: 1.644 HD2 :: 3.034 HD3 :: 3.173 HE :: 8.396 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 :: 117.834 NE :: 85.021 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.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.41 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 181.026 CA :: 54.939 CB :: 18.019 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.760 HA :: 4.141 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.407 Ave N Shift Values>> N :: 123.23(3.7) 1.K69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.56 K 0.32 M 0.06 A 0.02 L 0.01 C Shift Assignments>> C :: 177.766 CA :: 57.219 CB :: 30.703 CG :: 22.433 CD :: 27.575 CE :: 41.108 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 :: 8.056 HA :: 3.734 HB2 :: 1.365 HB3 :: 1.141 HG2 :: -0.476(S) HG3 :: 0.383(S) HD2 :: 0.738(S) HD3 :: 1.022 HE2 :: 1.671(S) HE3 :: 1.821(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 :: 121.991 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.846 CA :: 62.479 CB :: 39.225 CD1 :: 132.269 CE1 :: 118.054 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 :: 7.847 HA :: 4.091 HB2 :: 2.948 HB3 :: 3.011 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.592 HE2 :: 6.592 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 :: 118.649 Ave N Shift Values>> N :: 120.79(4.69) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.19 Q 0.12 M 0.08 C Shift Assignments>> C :: 180.540 CA :: 58.760 CB :: 29.671 CG :: 35.794 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 :: 7.733 HA :: 3.831 HB2 :: 2.009 HB3 :: 2.009 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.859 Ave N Shift Values>> N :: 120.68(3.68) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.371 CA :: 46.882 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.283 HA2 :: 3.905 HA3 :: 3.842 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.600 Ave N Shift Values>> N :: 109.91(4.29) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.18 G 0.13 A 0.03 HN Overlap>> 1.R9 1.R9 C Shift Assignments>> C :: 178.401 CA :: 56.038 CB :: 43.491 CG :: 27.011 CD1 :: 25.835 CD2 :: 22.694 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 :: 7.846 HA :: 4.059 HB2 :: 1.711 HB3 :: 1.254 HG :: 1.679 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.847 Ave N Shift Values>> N :: 121.98(4.07) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.07 C Shift Assignments>> C :: 177.113 CA :: 57.636 CB :: 30.740 CG :: 32.519 CE :: 17.500 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.342 HA :: 4.217 HB2 :: 1.833 HB3 :: 2.135 HG2 :: 2.633 HG3 :: 2.317 HE1 :: 1.760 HE2 :: 1.760 HE3 :: 1.760 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.561 Ave N Shift Values>> N :: 120.1(3.88) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.4 C Shift Assignments>> C :: 180.790 CA :: 55.041 CB :: 18.140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.670 HA :: 3.951 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.816 Ave N Shift Values>> N :: 123.23(3.7) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.669 CA :: 65.550 CB :: 32.060 CG1 :: 21.656 CG2 :: 21.403 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 :: 6.610 HA :: 3.563 HB :: 1.939 HG11 :: 0.942 HG12 :: 0.942 HG13 :: 0.942 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 118.109 Ave N Shift Values>> N :: 121.02(4.96) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.36 V 0.02 L 0.01 C Shift Assignments>> C :: 179.074 CA :: 55.537 CB :: 18.914 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.236 HA :: 3.636 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.177 Ave N Shift Values>> N :: 123.23(3.7) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.41 G 0.02 M 0.01 C Shift Assignments>> C :: 178.589 CA :: 60.306 CB :: 32.697 CG :: 26.745 CD :: 29.763 CE :: 42.168 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 :: 8.160 HA :: 3.689 HB2 :: 1.663 HB3 :: 1.730 HG2 :: 1.593 HG3 :: 1.191 HD2 :: 1.540 HD3 :: 1.540 HE2 :: 2.797 HE3 :: 2.797 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.42 C Shift Assignments>> C :: 180.378 CA :: 54.901 CB :: 17.992 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.492 HA :: 4.040 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.705 Ave N Shift Values>> N :: 123.23(3.7) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.34 E 0.16 R 0.09 M 0.03 C Shift Assignments>> C :: 178.813 CA :: 58.733 CB :: 28.361 CG :: 33.944 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 :: 8.045 HA :: 4.022 HB2 :: 1.848 HB3 :: 2.070 HG2 :: 2.315 HG3 :: 2.733 HE21 :: 7.399 HE22 :: 6.162 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.293 NE2 :: 108.568 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.18 K 0.01 C Shift Assignments>> CA :: 57.015 CB :: 41.611 CG :: 27.557 CD1 :: 25.750 CD2 :: 23.251 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 :: 7.749 HA :: 3.939 HB2 :: 1.696 HB3 :: 1.414 HG :: 1.702 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.727 HD22 :: 0.727 HD23 :: 0.727 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.661 Ave N Shift Values>> N :: 121.98(4.07) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 177.323 CA :: 54.850 CB :: 32.225 CG :: 32.209 CE :: 16.910 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.635 HA :: 4.034 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.626 HG3 :: 2.579 HE1 :: 2.001 HE2 :: 2.001 HE3 :: 2.001 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 :: 117.653 Ave N Shift Values>> N :: 120.1(3.88) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.19 F 0.11 Y 0.09 R 0.06 N 0.05 C Shift Assignments>> C :: 176.491 CA :: 55.154 CB :: 41.420 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 :: 7.632 HA :: 4.597 HB2 :: 2.650 HB3 :: 2.730 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.431 Ave N Shift Values>> N :: 120.73(4.2) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.22 K 0.1 Q 0.07 C Shift Assignments>> C :: 175.600 CA :: 56.304 CB :: 30.658 CG :: 36.221 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 :: 7.537 HA :: 4.229 HB2 :: 2.082 HB3 :: 1.852 HG2 :: 2.384 HG3 :: 2.178 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 :: 119.300 Ave N Shift Values>> N :: 120.68(3.68) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.21 G 0.11 C Shift Assignments>> CA :: 57.076 CB :: 43.361 CG :: 27.204 CD1 :: 25.700 CD2 :: 23.720 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 :: 7.455 HA :: 4.051 HB2 :: 1.595 HB3 :: 1.490 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.385 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 82 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 84 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 0 C Shift Results: #Consistent: 352 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 585 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 90 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R10 HD2 = 2.176(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.3565e-05 1.R10 HD3 = 2.176(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.4486e-05 1.V21 HG11 = -0.099(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.0559e-04 1.V21 HG12 = -0.099(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.0559e-04 1.V21 HG13 = -0.099(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.0559e-04 1.K69 HG2 = -0.476(S), Expected = 1.38, Std = 0.2700, ChiSquare = 6.2394e-12 1.K69 HG3 = 0.383(S), Expected = 1.37, Std = 0.2900, ChiSquare = 6.6541e-04 1.K69 HD2 = 0.738(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.8665e-04 1.K69 HE2 = 1.671(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.0740e-10 1.K69 HE3 = 1.821(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.9395e-08