Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.44 I 0.39 A 0.14 C Shift Assignments>> CE :: 17.086 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>> HE1 :: 2.083 HE2 :: 2.083 HE3 :: 2.083 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.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.95 R 0.02 A 0.01 C Shift Assignments>> C :: 178.020 CA :: 56.552 CB :: 41.140 CG :: 26.685 CD1 :: 24.367 CD2 :: 23.337 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>> HA :: 4.148 HB2 :: 1.867 HB3 :: 1.600 HG :: 1.671 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) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 W 0.15 M 0.14 R 0.13 V 0.1 E 0.1 H 0.09 Q 0.06 I 0.01 C Shift Assignments>> C :: 178.091 CA :: 58.603 CB :: 32.235 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 :: 8.541 HA :: 4.112 HB2 :: 1.819 HB3 :: 1.819 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.123 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.128 CA :: 59.938 CB :: 69.466 CG2 :: 21.534 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 :: 7.836 HA :: 3.912 HB :: 4.150 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 :: 105.258 Ave N Shift Values>> N :: 115.7(5.05) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 I 0.36 V 0.07 M 0.03 HN Overlap>> 1.A76 1.A76 C Shift Assignments>> C :: 174.153 CA :: 57.984 CB :: 35.388 CG1 :: 26.256 CG2 :: 19.446 CD1 :: 8.984 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 :: 7.450 HA :: 4.877 HB :: 2.099 HG12 :: 1.758 HG13 :: 1.730 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.029 Ave N Shift Values>> N :: 121.6(4.72) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 R 0.04 D 0.02 C Shift Assignments>> C :: 175.793 CA :: 53.036 CB :: 45.076 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 :: 9.664 HA :: 5.040 HB2 :: 1.399 HB3 :: 1.131 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 HD21 :: 0.583 HD22 :: 0.583 HD23 :: 0.583 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 :: 125.536 Ave N Shift Values>> N :: 121.98(4.07) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.926 CA :: 55.966 CB :: 64.658 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.671 HA :: 4.771 HB2 :: 3.492 HB3 :: 3.492 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 :: 114.118 Ave N Shift Values>> N :: 116.3(3.95) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.793 CA :: 60.354 CB :: 39.266 CG1 :: 26.929 CG2 :: 16.726 CD1 :: 12.332 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 :: 9.342 HA :: 4.631 HB :: 1.277 HG12 :: 1.204 HG13 :: 0.616 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 HD11 :: -0.047 HD12 :: -0.047 HD13 :: -0.047 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.739 Ave N Shift Values>> N :: 121.6(4.72) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 178.958 CA :: 54.208 CB :: 18.697 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.377 HA :: 4.234 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.076 Ave N Shift Values>> N :: 123.23(3.7) 1.G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.37 W 0.04 I 0.04 K 0.01 R 0.01 E 0.01 C Shift Assignments>> C :: 177.911 CA :: 62.647 CB :: 32.625 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 :: 4.708 HB2 :: 2.074 HB3 :: 2.074 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.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.805 CA :: 44.834 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.591 HA2 :: 3.991 HA3 :: 3.755 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.498 Ave N Shift Values>> N :: 109.91(4.29) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 A 0.26 L 0.21 C Shift Assignments>> C :: 175.324 CA :: 52.743 CB :: 46.641 CG :: 27.029 CD1 :: 25.111 CD2 :: 22.299 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 :: 8.356 HA :: 5.047 HB2 :: 1.088 HB3 :: 1.088 HG :: 1.180 HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 HD21 :: -0.124 HD22 :: -0.124 HD23 :: -0.124 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.015 Ave N Shift Values>> N :: 121.98(4.07) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.89 G 0.1 C Shift Assignments>> C :: 173.449 CA :: 57.138 CB :: 42.682 CD1 :: 132.099 CE1 :: 119.396 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 :: 8.582 HA :: 5.010 HB2 :: 2.623 HB3 :: 2.341 HD1 :: 6.715 HD2 :: 6.715 HE1 :: 6.621 HE2 :: 6.621 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 :: 117.812 Ave N Shift Values>> N :: 120.79(4.69) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.25 G 0.03 M 0.01 C Shift Assignments>> C :: 176.666 CA :: 53.815 CB :: 35.497 CG :: 24.768 CD :: 28.832 CE :: 42.139 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.890 HA :: 5.279 HB2 :: 1.742 HB3 :: 1.431 HG2 :: 1.310 HG3 :: 1.238 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 2.939 HE3 :: 2.939 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 :: 122.930 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.29 G 0.04 K 0.01 C Shift Assignments>> C :: 175.149 CA :: 56.845 CB :: 42.682 CG :: 27.544 CD1 :: 25.909 CD2 :: 25.455 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 :: 9.116 HA :: 4.063 HB2 :: 1.825 HB3 :: 1.825 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.339 Ave N Shift Values>> N :: 121.98(4.07) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 176.438 CA :: 59.881 CB :: 36.499 CG1 :: 26.857 CG2 :: 16.497 CD1 :: 8.398 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.793 HA :: 4.333 HB :: 1.881 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 HD11 :: 0.596 HD12 :: 0.596 HD13 :: 0.596 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.339 Ave N Shift Values>> N :: 121.6(4.72) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.984 CA :: 57.431 CB :: 64.755 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.068 HA :: 4.637 HB2 :: 3.768 HB3 :: 3.692 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.460 Ave N Shift Values>> N :: 116.3(3.95) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 M 0.28 K 0.22 E 0.1 R 0.03 C Shift Assignments>> C :: 174.914 CA :: 55.087 CB :: 30.448 CG :: 33.439 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>> HA :: 4.758 HB2 :: 2.099 HB3 :: 1.963 HG2 :: 2.295 HG3 :: 2.295 HE21 :: 7.551 HE22 :: 6.787 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>> NE2 :: 111.691 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.29 G 0.27 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.391 CA :: 44.027 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.233 HA2 :: 4.509 HA3 :: 3.783 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.917 Ave N Shift Values>> N :: 109.91(4.29) 1.K22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.45 D 0.24 Y 0.11 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 173.860 CA :: 53.622 CB :: 38.973 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>> HA :: 4.665 HB2 :: 3.030 HB3 :: 2.913 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.33 I 0.02 C Shift Assignments>> C :: 173.456 CA :: 55.087 CB :: 34.579 CG :: 30.463 CE :: 17.003 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 :: 7.349 HA :: 4.724 HB2 :: 2.052 HB3 :: 1.796 HG2 :: 2.315 HG3 :: 2.096 HE1 :: 1.972 HE2 :: 1.972 HE3 :: 1.972 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 :: 114.786 Ave N Shift Values>> N :: 120.1(3.88) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 G 0.32 R 0.03 A 0.01 C Shift Assignments>> C :: 175.642 CA :: 53.622 CB :: 44.247 CG :: 26.943 CD1 :: 24.853 CD2 :: 24.007 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 :: 8.774 HA :: 4.852 HB2 :: 1.445 HB3 :: 1.369 HG :: 1.559 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 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 :: 121.716 Ave N Shift Values>> N :: 121.98(4.07) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.618 CA :: 60.068 CB :: 36.630 CG1 :: 26.685 CG2 :: 17.013 CD1 :: 10.459 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 :: 8.624 HA :: 4.432 HB :: 1.883 HG12 :: 1.161 HG13 :: 1.331 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 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 :: 120.929 Ave N Shift Values>> N :: 121.6(4.72) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 A 0.21 I 0.03 C Shift Assignments>> C :: 173.221 CA :: 57.769 CB :: 34.767 CG1 :: 22.221 CG2 :: 19.425 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 :: 8.770 HA :: 5.354 HB :: 2.063 HG11 :: 0.725 HG12 :: 0.725 HG13 :: 0.725 HG21 :: 0.532 HG22 :: 0.532 HG23 :: 0.532 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.421 Ave N Shift Values>> N :: 121.02(4.96) 1.E28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.69 E 0.28 C Shift Assignments>> C :: 176.680 CA :: 53.094 CB :: 35.737 CG :: 37.645 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.335 HA :: 5.721(S) HB2 :: 1.989 HB3 :: 1.750 HG2 :: 1.830 HG3 :: 1.830 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 :: 121.716 Ave N Shift Values>> N :: 120.68(3.68) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.266 CA :: 63.291 CB :: 68.564 CG2 :: 23.251 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 :: 9.144 HA :: 3.622 HB :: 4.078 HG21 :: 1.368 HG22 :: 1.368 HG23 :: 1.368 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.105 Ave N Shift Values>> N :: 115.7(5.05) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 V 0.19 K 0.03 C Shift Assignments>> C :: 173.387 CA :: 60.942 CB :: 29.012 CG1 :: 24.711 CG2 :: 24.711 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 :: 7.644 HA :: 3.908 HB :: 1.602 HG11 :: 1.458 HG12 :: 1.458 HG13 :: 1.458 HG21 :: 1.402 HG22 :: 1.402 HG23 :: 1.402 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 :: 124.312 Ave N Shift Values>> N :: 121.02(4.96) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.33 L 0.09 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 175.933 CA :: 52.680 CB :: 39.852 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 :: 7.610 HA :: 4.486 HB2 :: 3.120 HB3 :: 3.026 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.183 Ave N Shift Values>> N :: 120.73(4.2) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.55 M 0.42 I 0.01 C Shift Assignments>> C :: 178.724 CA :: 54.208 CB :: 18.465 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.173 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C Shift Assignments>> C :: 177.903 CA :: 53.622 CB :: 18.758 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.623 HA :: 4.066 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.794 Ave N Shift Values>> N :: 123.23(3.7) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.44 M 0.02 G 0.01 L 0.01 C Shift Assignments>> C :: 176.204 CA :: 56.845 CB :: 29.987 CG :: 24.894 CD :: 29.261 CE :: 42.197 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 :: 7.753 HA :: 4.184 HB2 :: 1.811 HB3 :: 1.720 HG2 :: 1.523 HG3 :: 1.523 HD2 :: 1.920 HD3 :: 1.920 HE2 :: 3.054 HE3 :: 3.054 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.506 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.04 G 0.01 C Shift Assignments>> C :: 177.024 CA :: 56.259 CB :: 33.407 CG :: 24.968 CD :: 29.261 CE :: 42.139 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 :: 8.500 HA :: 4.237 HB2 :: 1.804 HB3 :: 1.699 HG2 :: 1.468 HG3 :: 1.377 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 2.990 HE3 :: 2.990 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 :: 120.380 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.17 W 0.13 Q 0.13 M 0.13 E 0.12 K 0.08 C Shift Assignments>> C :: 176.673 CA :: 55.087 CB :: 30.654 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 :: 8.575 HA :: 5.516 HB2 :: 1.870 HB3 :: 1.513 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 :: 123.452 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.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 A 0.34 I 0.03 C Shift Assignments>> C :: 172.418 CA :: 57.495 CB :: 35.079 CG1 :: 21.419 CG2 :: 18.958 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 :: 9.178 HA :: 3.715 HB :: 2.114 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 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 :: 121.062 Ave N Shift Values>> N :: 121.02(4.96) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.438 CA :: 61.239 CB :: 32.402 CG :: 27.200 CD :: 50.381 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.125 HB2 :: 1.926 HB3 :: 1.213 HG2 :: 2.051 HG3 :: 2.051 HD2 :: 3.711 HD3 :: 3.711 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.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 L 0.01 C Shift Assignments>> C :: 175.852 CA :: 50.450 CB :: 20.223 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.601 HA :: 4.373 HB1 :: 0.953 HB2 :: 0.953 HB3 :: 0.953 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.865 Ave N Shift Values>> N :: 123.23(3.7) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.259 CA :: 57.724 CB :: 40.608 CD1 :: 133.254 CE1 :: 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 :: 9.144 HA :: 4.687 HB2 :: 3.096 HB3 :: 1.919 HD1 :: 7.253 HD2 :: 7.253 HE1 :: 6.825 HE2 :: 6.825 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 :: 121.609 Ave N Shift Values>> N :: 120.79(4.69) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 178.243 CA :: 54.610 CB :: 18.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.726 HA :: 4.123 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.932 Ave N Shift Values>> N :: 123.23(3.7) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.17 Q 0.16 W 0.14 E 0.14 R 0.14 K 0.13 M 0.06 I 0.01 L 0.01 C Shift Assignments>> C :: 176.145 CA :: 55.976 CB :: 29.627 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>> HA :: 4.548 HB2 :: 2.395 HB3 :: 2.095 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.18 F 0.11 Y 0.09 N 0.06 R 0.05 C Shift Assignments>> C :: 175.045 CA :: 55.087 CB :: 41.317 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 :: 7.652 HA :: 4.655 HB2 :: 2.811 HB3 :: 2.266 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.948 Ave N Shift Values>> N :: 120.73(4.2) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 R 0.16 H 0.15 K 0.13 W 0.13 E 0.11 Q 0.09 V 0.01 C Shift Assignments>> C :: 174.797 CA :: 55.673 CB :: 31.356 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 :: 8.472 HA :: 4.387 HB2 :: 1.849 HB3 :: 1.849 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 :: 121.542 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.338 CA :: 60.947 CB :: 33.350 CG1 :: 22.478 CG2 :: 20.676 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 :: 8.267 HA :: 4.591 HB :: 1.885 HG11 :: 0.676 HG12 :: 0.676 HG13 :: 0.676 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 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 :: 125.603 Ave N Shift Values>> N :: 121.02(4.96) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.02 C Shift Assignments>> C :: 174.270 CA :: 59.775 CB :: 41.903 CG1 :: 27.687 CG2 :: 17.059 CD1 :: 13.869 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 :: 8.911 HA :: 4.473 HB :: 1.731 HG12 :: 1.541 HG13 :: 1.227 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.738 Ave N Shift Values>> N :: 121.6(4.72) 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 :: 176.874 CA :: 56.845 CB :: 63.877 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.973 HA :: 5.040 HB2 :: 3.978 HB3 :: 3.777 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.155 Ave N Shift Values>> N :: 116.3(3.95) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 V 0.11 R 0.11 C Shift Assignments>> C :: 178.431 CA :: 58.896 CB :: 41.317 CG :: 28.574 CD1 :: 23.826 CD2 :: 22.917 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 :: 8.883 HA :: 3.852 HB2 :: 1.588 HB3 :: 1.405 HD11 :: 0.272 HD12 :: 0.272 HD13 :: 0.272 HD21 :: 0.163 HD22 :: 0.163 HD23 :: 0.163 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.993 Ave N Shift Values>> N :: 121.98(4.07) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.34 C Shift Assignments>> C :: 177.845 CA :: 53.574 CB :: 18.489 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.671 HA :: 4.204 HB1 :: 1.312 HB2 :: 1.312 HB3 :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.710 Ave N Shift Values>> N :: 123.23(3.7) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.16 N 0.08 F 0.08 Y 0.06 R 0.06 C Shift Assignments>> C :: 175.559 CA :: 54.208 CB :: 41.496 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 :: 7.842 HA :: 4.848 HB2 :: 2.778 HB3 :: 3.005 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.601 Ave N Shift Values>> N :: 120.73(4.2) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.092 CA :: 61.729 CB :: 38.681 CG1 :: 27.801 CG2 :: 18.100 CD1 :: 13.979 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 :: 6.973 HA :: 4.147 HB :: 1.850 HG12 :: 1.112 HG13 :: 1.112 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 1.049 HD12 :: 1.049 HD13 :: 1.049 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.329 Ave N Shift Values>> N :: 121.6(4.72) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.33 M 0.12 K 0.02 C Shift Assignments>> C :: 175.618 CA :: 50.693 CB :: 22.456 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.558 HA :: 4.890 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.023 Ave N Shift Values>> N :: 123.23(3.7) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.42 C Shift Assignments>> C :: 174.701 CA :: 53.329 CB :: 34.990 CG :: 32.953 CE :: 17.682 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.007 HA :: 4.591 HB2 :: 1.913 HB3 :: 1.692 HG2 :: 1.717 HG3 :: 1.717 HE1 :: 1.890 HE2 :: 1.890 HE3 :: 1.890 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.935 Ave N Shift Values>> N :: 120.1(3.88) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.497 CA :: 58.603 CB :: 41.024 CD1 :: 132.942 CE1 :: 118.512 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 :: 7.041 HA :: 4.931 HB2 :: 3.398 HB3 :: 2.603 HD1 :: 7.147 HD2 :: 7.147 HE1 :: 6.890 HE2 :: 6.890 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 :: 118.177 Ave N Shift Values>> N :: 120.79(4.69) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.977 CA :: 59.775 CB :: 71.494 CG2 :: 21.362 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 :: 8.794 HA :: 4.965 HB :: 4.403 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.769 Ave N Shift Values>> N :: 115.7(5.05) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 Y 0.18 F 0.18 N 0.15 L 0.12 K 0.03 I 0.02 C Shift Assignments>> C :: 176.028 CA :: 55.380 CB :: 39.852 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 :: 8.274 HA :: 4.473 HB2 :: 2.850 HB3 :: 2.734 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.068 Ave N Shift Values>> N :: 120.73(4.2) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 L 0.02 C Shift Assignments>> C :: 176.614 CA :: 52.036 CB :: 20.223 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.342 HA :: 4.546 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.250 Ave N Shift Values>> N :: 123.23(3.7) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 M 0.33 Q 0.09 K 0.06 I 0.02 C Shift Assignments>> C :: 175.852 CA :: 55.966 CB :: 31.356 CG :: 35.872 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 :: 8.048 HA :: 4.558 HB2 :: 2.123 HB3 :: 1.977 HG2 :: 2.247 HG3 :: 2.247 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 :: 119.605 Ave N Shift Values>> N :: 120.68(3.68) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.2 K 0.12 Q 0.1 I 0.04 C Shift Assignments>> C :: 175.911 CA :: 56.259 CB :: 30.477 CG :: 35.957 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 :: 8.678 HA :: 4.580 HB2 :: 1.859 HB3 :: 1.859 HG2 :: 2.253 HG3 :: 2.253 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 :: 122.610 Ave N Shift Values>> N :: 120.68(3.68) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> CA :: 58.310 CB :: 34.579 CG1 :: 20.933 CG2 :: 21.276 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 :: 8.719 HA :: 4.637 HB :: 1.751 HG11 :: 0.918 HG12 :: 0.918 HG13 :: 0.918 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 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 :: 123.759 Ave N Shift Values>> N :: 121.02(4.96) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.552 CA :: 62.997 CB :: 32.331 CG :: 27.801 CD :: 51.289 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 :: 2.580 HB3 :: 2.106 HG2 :: 2.153 HG3 :: 2.093 HD2 :: 3.920 HD3 :: 3.738 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.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 C Shift Assignments>> C :: 178.446 CA :: 58.017 CB :: 41.317 CG :: 26.857 CD1 :: 24.491 CD2 :: 22.946 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.829 HA :: 3.862 HB2 :: 1.988 HB3 :: 1.404 HG :: 1.181 HD11 :: 1.060 HD12 :: 1.060 HD13 :: 1.060 HD21 :: 1.020 HD22 :: 1.020 HD23 :: 1.020 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 :: 125.054 Ave N Shift Values>> N :: 121.98(4.07) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.325 CA :: 61.215 CB :: 61.137 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.113 HA :: 4.011 HB2 :: 3.862 HB3 :: 3.862 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 :: 112.902 Ave N Shift Values>> N :: 116.3(3.95) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.27 K 0.11 M 0.03 Q 0.03 C Shift Assignments>> C :: 179.793 CA :: 58.603 CB :: 29.305 CG :: 36.558 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 :: 7.089 HA :: 4.478 HB2 :: 2.102 HB3 :: 2.102 HG2 :: 2.368 HG3 :: 2.269 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 :: 120.247 Ave N Shift Values>> N :: 120.68(3.68) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 177.903 CA :: 66.284 CB :: 31.356 CG1 :: 23.079 CG2 :: 21.104 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 :: 7.647 HA :: 3.635 HB :: 2.304 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 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 :: 122.741 Ave N Shift Values>> N :: 121.02(4.96) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.16 K 0.03 A 0.01 C Shift Assignments>> C :: 178.899 CA :: 58.017 CB :: 40.438 CG :: 28.316 CD1 :: 26.339 CD2 :: 22.921 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 :: 8.849 HA :: 3.820 HB2 :: 1.382 HB3 :: 1.352 HD11 :: 0.423 HD12 :: 0.423 HD13 :: 0.423 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 119.405 Ave N Shift Values>> N :: 121.98(4.07) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 K 0.27 Q 0.26 I 0.08 M 0.04 R 0.03 C Shift Assignments>> C :: 178.064 CA :: 58.896 CB :: 29.012 CG :: 34.693 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 :: 7.931 HA :: 4.058 HB2 :: 2.416 HB3 :: 2.115 HG2 :: 2.583 HG3 :: 2.393 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 :: 119.126 Ave N Shift Values>> N :: 120.68(3.68) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.03 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 181.537 CA :: 55.106 CB :: 18.320 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.651 HA :: 4.263 HB1 :: 1.634 HB2 :: 1.634 HB3 :: 1.634 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.784 Ave N Shift Values>> N :: 123.23(3.7) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.555 CA :: 66.927 CB :: 31.649 CG1 :: 19.716 CG2 :: 22.976 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 :: 8.336 HA :: 3.301 HB :: 1.796 HG11 :: 0.090 HG12 :: 0.090 HG13 :: 0.090 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 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 :: 122.918 Ave N Shift Values>> N :: 121.02(4.96) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 M 0.31 K 0.05 C Shift Assignments>> C :: 179.959 CA :: 59.011 CB :: 32.726 CG :: 21.620 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 :: 8.479 HA :: 4.476 HB2 :: 2.483 HB3 :: 2.483 HG2 :: 0.712 HG3 :: 0.712 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 :: 120.888 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.16 R 0.14 H 0.11 Q 0.09 I 0.09 V 0.06 K 0.05 M 0.04 C Shift Assignments>> C :: 179.837 CA :: 59.289 CB :: 30.184 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 :: 8.404 HA :: 4.142 HB2 :: 2.371 HB3 :: 1.958 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.044 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.2 E 0.14 R 0.13 V 0.12 I 0.11 H 0.08 Q 0.06 K 0.05 M 0.04 P 0.03 C Shift Assignments>> C :: 176.915 CA :: 60.067 CB :: 30.570 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>> HA :: 4.880 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) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.17 E 0.11 F 0.1 D 0.1 M 0.04 L 0.01 I 0.01 K 0.01 HN Overlap>> 1.A92 1.A92 C Shift Assignments>> C :: 176.502 CA :: 54.414 CB :: 37.681 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 :: 8.090 HA :: 4.486 HB2 :: 3.198 HB3 :: 2.785 HD21 :: 7.640 HD22 :: 6.864 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 :: 120.427 ND2 :: 112.686 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 172.141 CA :: 45.808 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.087 HA2 :: 4.085 HA3 :: 3.658 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.606 Ave N Shift Values>> N :: 109.91(4.29) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.1 L 0.06 HN Overlap>> 1.I5 1.I5 C Shift Assignments>> C :: 177.141 CA :: 50.400 CB :: 21.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.438 HA :: 4.650 HB1 :: 1.641 HB2 :: 1.641 HB3 :: 1.641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.997 Ave N Shift Values>> N :: 123.23(3.7) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V130 1.V130 C Shift Assignments>> C :: 175.325 CA :: 63.291 CB :: 32.039 CG1 :: 21.342 CG2 :: 20.332 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 :: 7.916 HA :: 3.912 HB :: 2.053 HG11 :: 0.998 HG12 :: 0.998 HG13 :: 0.998 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 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 :: 115.339 Ave N Shift Values>> N :: 121.02(4.96) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 C Shift Assignments>> C :: 179.661 CA :: 53.036 CB :: 19.124 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.164 HA :: 4.187 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.269 Ave N Shift Values>> N :: 123.23(3.7) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.504 CA :: 59.482 CB :: 62.998 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.890 HA :: 4.284 HB2 :: 4.124 HB3 :: 4.124 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 :: 117.776 Ave N Shift Values>> N :: 116.3(3.95) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 173.719 CA :: 58.903 CB :: 39.070 CG1 :: 28.917 CG2 :: 14.641 CD1 :: 14.534 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 :: 7.069 HA :: 4.226 HB :: 1.551 HG12 :: 1.401 HG13 :: 1.401 HG21 :: 0.271 HG22 :: 0.271 HG23 :: 0.271 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.859 Ave N Shift Values>> N :: 121.6(4.72) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 M 0.15 P 0.13 E 0.05 K 0.04 Y 0.03 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 176.321 CA :: 50.956 CB :: 35.750 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>> HA :: 4.738 HB2 :: 3.062 HB3 :: 2.673 HD21 :: 7.700 HD22 :: 6.874 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>> ND2 :: 111.468 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.680 CA :: 59.189 CB :: 37.705 CD1 :: 132.786 CE1 :: 118.415 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 :: 7.548 HA :: 3.926 HB2 :: 2.995 HB3 :: 2.503 HD1 :: 6.851 HD2 :: 6.851 HE1 :: 6.835 HE2 :: 6.835 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 :: 121.942 Ave N Shift Values>> N :: 120.79(4.69) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 M 0.02 G 0.01 C Shift Assignments>> C :: 177.441 CA :: 58.310 CB :: 32.235 CG :: 25.816 CD :: 29.175 CE :: 42.053 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 :: 7.295 HA :: 3.900 HB2 :: 1.663 HB3 :: 1.517 HG2 :: 1.058 HG3 :: 1.058 HD2 :: 1.570 HD3 :: 1.570 HE2 :: 3.012 HE3 :: 3.012 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 :: 119.846 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.16 M 0.02 G 0.01 C Shift Assignments>> C :: 176.043 CA :: 54.757 CB :: 34.220 CG :: 24.539 CD :: 28.762 CE :: 41.881 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.843 HA :: 4.410 HB2 :: 1.832 HB3 :: 1.458 HG2 :: 1.229 HG3 :: 1.229 HD2 :: 1.605 HD3 :: 1.605 HE2 :: 2.955 HE3 :: 2.828 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.440 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 L 0.01 C Shift Assignments>> C :: 177.200 CA :: 52.329 CB :: 19.637 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.370 HA :: 4.327 HB1 :: 1.269 HB2 :: 1.269 HB3 :: 1.269 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.517 Ave N Shift Values>> N :: 123.23(3.7) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.729 CA :: 56.845 CB :: 65.123 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.929 HA :: 4.430 HB2 :: 4.096 HB3 :: 4.096 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 :: 118.137 Ave N Shift Values>> N :: 116.3(3.95) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.23 I 0.08 V 0.01 C Shift Assignments>> C :: 179.954 CA :: 55.976 CB :: 17.978 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.972 HA :: 4.044 HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.492 Ave N Shift Values>> N :: 123.23(3.7) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 L 0.11 D 0.11 K 0.08 I 0.07 N 0.02 C Shift Assignments>> C :: 179.368 CA :: 57.431 CB :: 40.203 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 :: 8.377 HA :: 4.462 HB2 :: 2.724 HB3 :: 2.583 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.790 Ave N Shift Values>> N :: 120.73(4.2) 1.E89 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.53 R 0.26 V 0.06 Q 0.05 M 0.04 P 0.02 HN Overlap>> 1.V106 1.V106 C Shift Assignments>> C :: 179.848 CA :: 59.158 CB :: 32.273 CG :: 25.312(S) 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 :: 7.856 HA :: 4.141 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 1.694 HG3 :: 1.473(S) 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 :: 121.890 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 R 0.21 W 0.11 Q 0.1 K 0.09 L 0.08 H 0.07 E 0.06 P 0.01 C Shift Assignments>> C :: 178.216 CA :: 59.195 CG :: 27.200 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 :: 7.904 HA :: 3.996 HB2 :: 1.970 HB3 :: 1.859 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 :: 122.183 Ave N Shift Values>> N :: 121.98(4.07) 1.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.17 K 0.16 R 0.14 L 0.11 W 0.1 E 0.07 M 0.03 C Shift Assignments>> C :: 177.538 CA :: 54.208 CB :: 28.426 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 :: 8.356 HA :: 4.880 HB2 :: 3.262 HB3 :: 3.262 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 :: 113.437 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.03 HN Overlap>> 1.N74 1.N74 C Shift Assignments>> C :: 180.423 CA :: 54.903 CB :: 17.855 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.096 HA :: 4.055 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.461 Ave N Shift Values>> N :: 123.23(3.7) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.I115 1.I115 C Shift Assignments>> C :: 177.524 CA :: 61.533 CB :: 39.097 CD1 :: 132.605 CE1 :: 117.781 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 :: 7.801 HA :: 4.037 HB2 :: 3.034 HB3 :: 3.034 HD1 :: 6.851 HD2 :: 6.851 HE1 :: 6.835 HE2 :: 6.835 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 :: 118.137 Ave N Shift Values>> N :: 120.79(4.69) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 Y 0.32 C Shift Assignments>> C :: 176.731 CA :: 61.240 CB :: 39.266 CD1 :: 130.718 CE1 :: 130.241 CZ :: 128.372 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 :: 8.637 HA :: 4.030 HB2 :: 2.591 HB3 :: 2.995 HD1 :: 5.985 HD2 :: 5.985 HE1 :: 6.766 HE2 :: 6.766 HZ :: 6.941 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 :: 119.672 Ave N Shift Values>> N :: 120.69(4.18) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 178.991 CA :: 53.915 CB :: 18.002 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.829 HA :: 4.043 HB1 :: 1.521 HB2 :: 1.521 HB3 :: 1.521 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.045 Ave N Shift Values>> N :: 123.23(3.7) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 K 0.15 I 0.14 Q 0.07 M 0.07 C Shift Assignments>> C :: 177.607 CA :: 57.724 CB :: 29.598 CG :: 36.215 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 :: 7.069 HA :: 4.007 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 2.366 HG3 :: 2.366 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 :: 113.534 Ave N Shift Values>> N :: 120.68(3.68) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.604 CA :: 63.641 CB :: 31.942 CG1 :: 22.478 CG2 :: 21.362 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 :: 6.936 HA :: 3.651 HB :: 1.767 HG11 :: 0.596 HG12 :: 0.596 HG13 :: 0.596 HG21 :: 0.559 HG22 :: 0.559 HG23 :: 0.559 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 :: 116.534 Ave N Shift Values>> N :: 121.02(4.96) 1.L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.71 A 0.22 G 0.05 C Shift Assignments>> C :: 171.768 CA :: 50.693 CB :: 42.029 CG :: 27.200 CD1 :: 23.487 CD2 :: 22.417 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 :: 7.895 HA :: 4.547 HB2 :: 1.306 HB3 :: 0.384(S) HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.593 HD22 :: 0.593 HD23 :: 0.593 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.380 Ave N Shift Values>> N :: 121.98(4.07) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.845 CA :: 62.989 CB :: 31.934 CG :: 27.372 CD :: 50.381 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 :: 4.378 HB2 :: 2.281 HB3 :: 2.281 HG2 :: 1.999 HG3 :: 1.999 HD2 :: 3.801 HD3 :: 3.634 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.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 M 0.12 E 0.1 Y 0.06 K 0.03 F 0.03 D 0.03 Q 0.01 C Shift Assignments>> C :: 175.500 CA :: 52.361 CB :: 36.337 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 :: 8.507 HA :: 4.696 HB2 :: 3.225 HB3 :: 2.810 HD21 :: 7.700 HD22 :: 6.890 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.036 ND2 :: 112.187 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 H 0.01 C Shift Assignments>> C :: 173.290 CA :: 58.017 CB :: 37.509 CD1 :: 134.157 CE1 :: 118.222 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 :: 7.930 HA :: 4.401 HB2 :: 3.363 HB3 :: 3.106 HD1 :: 7.233 HD2 :: 7.233 HE1 :: 6.862 HE2 :: 6.862 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 :: 118.070 Ave N Shift Values>> N :: 120.79(4.69) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.38 N 0.21 L 0.18 K 0.07 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 176.497 CA :: 52.743 CB :: 41.024 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 :: 4.478 HB2 :: 2.759 HB3 :: 2.759 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.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.44 G 0.01 C Shift Assignments>> C :: 176.848 CA :: 58.310 CB :: 30.269 CG :: 28.145 CD :: 41.881 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 :: 8.462 HA :: 4.198 HB2 :: 1.931 HB3 :: 1.695 HG2 :: 1.602 HG3 :: 1.602 HD2 :: 2.800 HD3 :: 2.800 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 :: 127.826 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.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.21 K 0.2 F 0.13 Y 0.11 R 0.06 N 0.04 I 0.01 C Shift Assignments>> C :: 177.317 CA :: 55.673 CB :: 41.317 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 :: 8.452 HA :: 4.687 HB2 :: 2.773 HB3 :: 2.663 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 :: 115.974 Ave N Shift Values>> N :: 120.73(4.2) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.33 E 0.12 R 0.11 M 0.03 I 0.01 C Shift Assignments>> C :: 174.992 CA :: 55.966 CB :: 33.993 CG :: 27.973 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 :: 7.329 HA :: 4.451 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.107 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.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 M 0.03 I 0.01 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 173.829 CA :: 62.262 CB :: 32.350 CG1 :: 21.505 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 :: 7.849 HA :: 4.270 HB :: 2.453 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 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 :: 121.849 Ave N Shift Values>> N :: 121.02(4.96) 1.H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.2 Q 0.14 H 0.11 R 0.1 W 0.08 E 0.05 V 0.01 C Shift Assignments>> C :: 177.303 CA :: 54.501 CB :: 32.721 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 :: 8.835 HA :: 5.062 HB2 :: 3.311 HB3 :: 3.121 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 :: 124.735 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 176.614 CA :: 46.004 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.023 HA3 :: 4.023 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.19 Y 0.17 L 0.17 D 0.14 R 0.04 I 0.03 N 0.02 C Shift Assignments>> C :: 177.845 CA :: 56.845 CB :: 40.960 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 :: 7.432 HA :: 4.237 HB2 :: 2.921 HB3 :: 2.470 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 :: 121.546 Ave N Shift Values>> N :: 120.73(4.2) 1.I111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.024 CA :: 65.226 CB :: 37.802 CG1 :: 27.599 CG2 :: 17.156 CD1 :: 12.584 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 :: 7.185 HA :: 2.844 HB :: 1.506 HG12 :: -0.714(S) HG13 :: -0.714(S) HG21 :: 0.553 HG22 :: 0.553 HG23 :: 0.553 HD11 :: 0.240 HD12 :: 0.240 HD13 :: 0.240 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 :: 120.581 Ave N Shift Values>> N :: 121.6(4.72) 1.K112 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 C Shift Assignments>> C :: 177.413 CA :: 60.654 CB :: 32.821 CG :: 26.685 CD :: 29.801 CE :: 42.174 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 :: 7.788 HA :: 3.371 HB2 :: 1.771 HB3 :: 1.771 HG2 :: 1.357 HG3 :: 1.357 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.054 HE3 :: 3.054 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 :: 116.801 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.31 M 0.08 C Shift Assignments>> C :: 177.083 CA :: 58.845 CB :: 31.063 CG :: 23.441 CD :: 29.089 CE :: 41.327 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 :: 7.308 HA :: 3.313 HB2 :: 1.367 HB3 :: 0.990 HG2 :: 0.692 HG3 :: 0.692 HD2 :: 1.400 HD3 :: 1.400 HE2 :: 2.747 HE3 :: 2.747 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.277 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 K 0.01 C Shift Assignments>> C :: 178.020 CA :: 58.310 CB :: 41.024 CG :: 27.007 CD1 :: 25.328 CD2 :: 25.701 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 :: 7.308 HA :: 3.685 HB2 :: 1.504 HB3 :: 1.732 HG :: 1.679 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 118.711 Ave N Shift Values>> N :: 121.98(4.07) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Y93 1.Y93 C Shift Assignments>> C :: 176.966 CA :: 64.955 CB :: 36.923 CG1 :: 28.186 CG2 :: 18.652 CD1 :: 13.721 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 :: 7.747 HA :: 3.426 HB :: 1.172 HG12 :: 1.552 HG13 :: 0.816 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 HD11 :: 0.430 HD12 :: 0.430 HD13 :: 0.430 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.177 Ave N Shift Values>> N :: 121.6(4.72) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.434 CA :: 61.240 CB :: 62.412 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.664 HA :: 3.910 HB2 :: 3.714 HB3 :: 3.714 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 :: 114.972 Ave N Shift Values>> N :: 116.3(3.95) 1.W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.358 CA :: 57.724 CB :: 28.634 CD1 :: 122.845 CE3 :: 118.932 CZ2 :: 113.912 CZ3 :: 120.987 CH2 :: 123.809 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 :: 8.466 HA :: 4.569 HB2 :: 2.853 HB3 :: 2.853 HD1 :: 6.788 HE1 :: 10.256 HE3 :: 7.200 HZ2 :: 7.495 HZ3 :: 6.887 HH2 :: 7.096 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 :: 122.383 NE1 :: 127.329 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.905 CA :: 62.785 CB :: 37.509 CD1 :: 132.627 CE1 :: 117.322 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 :: 8.698 HA :: 3.872 HB2 :: 3.295 HB3 :: 2.961 HD1 :: 6.851 HD2 :: 6.851 HE1 :: 6.574 HE2 :: 6.574 HH :: 10.375 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 :: 120.006 Ave N Shift Values>> N :: 120.79(4.69) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 Y 0.22 N 0.17 F 0.12 M 0.07 D 0.04 I 0.04 K 0.02 L 0.01 C Shift Assignments>> C :: 178.243 CA :: 55.673 CB :: 37.187 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 :: 8.438 HA :: 4.269 HB2 :: 2.963 HB3 :: 2.767 HD21 :: 7.438 HD22 :: 7.066 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 :: 116.656 ND2 :: 106.112 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.017 CA :: 65.813 CB :: 38.677 CG1 :: 29.518 CG2 :: 18.357 CD1 :: 14.452 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 :: 8.118 HA :: 3.685 HB :: 2.053 HG12 :: 2.112 HG13 :: 2.112 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 1.066 HD12 :: 1.066 HD13 :: 1.066 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 :: 120.845 Ave N Shift Values>> N :: 121.6(4.72) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 L 0.45 R 0.06 M 0.02 C Shift Assignments>> C :: 179.392 CA :: 59.191 CB :: 38.799 CG :: 29.518 CD1 :: 26.540 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.459 HA :: 3.827 HB2 :: 2.059 HB3 :: 2.059 HG :: 1.702 HD11 :: 0.669 HD12 :: 0.669 HD13 :: 0.669 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 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 :: 121.248 Ave N Shift Values>> N :: 121.98(4.07) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 181.011 CA :: 66.220 CB :: 31.241 CG1 :: 21.029 CG2 :: 19.965 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 :: 8.568 HA :: 3.530 HB :: 1.796 HG11 :: 0.674 HG12 :: 0.674 HG13 :: 0.674 HG21 :: 0.486 HG22 :: 0.486 HG23 :: 0.486 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 :: 116.641 Ave N Shift Values>> N :: 121.02(4.96) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 Y 0.2 D 0.18 F 0.16 E 0.05 L 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 176.389 CA :: 54.973 CB :: 38.574 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 :: 8.404 HA :: 4.535 HB2 :: 2.973 HB3 :: 2.678 HD21 :: 7.224 HD22 :: 6.654 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.312 ND2 :: 110.898 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 L 0.1 F 0.09 Y 0.09 K 0.02 C Shift Assignments>> C :: 174.267 CA :: 53.622 CB :: 39.872 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 :: 7.575 HA :: 4.740 HB2 :: 2.708 HB3 :: 2.400 HD21 :: 8.653 HD22 :: 6.902 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 :: 116.166 ND2 :: 117.018 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G125 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 :: 173.982 CA :: 46.485 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.692 HA2 :: 4.012 HA3 :: 3.751 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.786 Ave N Shift Values>> N :: 109.91(4.29) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.216 CA :: 60.654 CB :: 36.930 CG1 :: 26.685 CG2 :: 17.499 CD1 :: 13.893 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 :: 8.406 HA :: 4.157 HB :: 1.796 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.649 Ave N Shift Values>> N :: 121.6(4.72) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.215 CA :: 60.068 CB :: 69.296 CG2 :: 21.448 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 :: 7.418 HA :: 3.910 HB :: 4.155 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 :: 108.629 Ave N Shift Values>> N :: 115.7(5.05) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 K 0.21 Q 0.12 M 0.08 I 0.04 C Shift Assignments>> C :: 174.621 CA :: 54.995 CB :: 29.305 CG :: 36.072 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 :: 7.110 HA :: 4.260 HB2 :: 1.945 HB3 :: 1.806 HG2 :: 2.126 HG3 :: 2.091 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 :: 122.264 Ave N Shift Values>> N :: 120.68(3.68) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 175.676 CA :: 56.552 CB :: 39.852 CD1 :: 130.452 CE1 :: 131.519 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 :: 8.377 HA :: 4.698 HB2 :: 3.371 HB3 :: 3.263 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 7.263 HE2 :: 7.263 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.545 Ave N Shift Values>> N :: 120.69(4.18) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 175.735 CA :: 60.654 CB :: 33.700 CG1 :: 21.362 CG2 :: 19.989 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 :: 7.938 HA :: 4.316 HB :: 2.063 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 115.320 Ave N Shift Values>> N :: 121.02(4.96) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.17 K 0.08 I 0.07 Q 0.03 C Shift Assignments>> C :: 175.676 CA :: 56.259 CB :: 30.477 CG :: 36.644 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 :: 8.596 HA :: 4.244 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 2.266 HG3 :: 2.266 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.135 Ave N Shift Values>> N :: 120.68(3.68) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 175.383 CA :: 50.400 CB :: 18.172 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.472 HA :: 4.586 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.606 Ave N Shift Values>> N :: 123.23(3.7) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.555 CA :: 62.704 CB :: 31.941 CG :: 27.286 CD :: 50.381 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 :: 4.386 HB2 :: 2.266 HB3 :: 1.859 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.801 HD3 :: 3.634 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.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 177.669 CA :: 52.157 CB :: 19.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.390 HA :: 4.295 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.534 Ave N Shift Values>> N :: 123.23(3.7) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.07 A 0.02 G 0.02 C Shift Assignments>> C :: 177.347 CA :: 55.027 CB :: 42.196 CG :: 26.857 CD1 :: 24.796 CD2 :: 23.423 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 :: 8.205 HA :: 4.276 HB2 :: 1.564 HB3 :: 1.480 HG :: 1.573 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 121.663 Ave N Shift Values>> N :: 121.98(4.07) 1.E136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.17 R 0.16 E 0.15 W 0.15 Q 0.14 K 0.1 M 0.08 I 0.01 C Shift Assignments>> C :: 174.201 CA :: 56.259 CB :: 30.184 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 :: 8.356 HA :: 4.569 HB2 :: 3.037(S) HB3 :: 3.037(S) 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 :: 121.196 Ave N Shift Values>> N :: 120.68(3.68) 1.H137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 W 0.16 E 0.16 H 0.14 Q 0.11 M 0.1 K 0.09 V 0.02 I 0.02 C Shift Assignments>> C :: 179.603 CA :: 57.431 CB :: 30.770 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 :: 7.918 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 :: 125.803 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 131 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 141 #Suspicious: 1 C Shift Results: #Consistent: 550 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 883 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E28 HA = 5.721(S), Expected = 4.26, Std = 0.4300, ChiSquare = 6.7961e-04 1.E89 Typing: Suspicious 1.E89 CG = 25.312(S), Expected = 36.01, Std = 1.5100, ChiSquare = 1.3928e-12 1.E89 HG3 = 1.473(S), Expected = 2.31, Std = 0.2100, ChiSquare = 6.7277e-05 1.E89 SRO Rule Break>> CG > CB : 0.99165623696287 1.L98 HB3 = 0.384(S), Expected = 1.57, Std = 0.3600, ChiSquare = 9.8616e-04 1.I111 HG12 = -0.714(S), Expected = 1.30, Std = 0.4000, ChiSquare = 4.7785e-07 1.I111 HG13 = -0.714(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.0343e-06 1.E136 HB2 = 3.037(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.8478e-06 1.E136 HB3 = 3.037(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.4590e-05